N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N(2)-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N(6)-(5-nitro-2-furoyl)lysinamide (CHEBI:63106)

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CHEBI:63106 - N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide

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ChEBI ID	CHEBI:63106
ChEBI Name	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide
Stars
ASCII Name	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N(2)-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N(6)-(5-nitro-2-furoyl)lysinamide
Definition	A tetrapeptide that consists of four piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the α-amino group of N⁶-5-nitrofuroyllysine bearing a polyether moiety at its carboxy terminus.
Last Modified	25 October 2011
Submitter	Steve
Downloads	Molfile

Formula	C74H114N12O22
Net Charge	0
Average Mass	1523.788
Monoisotopic Mass	1522.81706
SMILES	NC(=O)CCOCCOCCOCCOCCOCCNC(=O)C(CCCCNC(=O)c1ccc([N+](=O)[O-])o1)NC(=O)CCOCCOCCNC(=O)C1CCN(C(=O)C2CCN(C(=O)C3CCN(C(=O)C4CCN(C(=O)CCOCCOCCNC(=O)CCCc5cnc6ccccc56)CC4)CC3)CC2)CC1
InChI	InChI=1S/C74H114N12O22/c75-64(87)21-36-99-44-48-105-50-52-107-53-51-106-49-47-104-41-27-79-70(92)62(9-3-4-24-77-71(93)63-11-12-68(108-63)86(97)98)81-66(89)22-37-100-42-45-103-40-26-78-69(91)55-13-30-83(31-14-55)73(95)57-17-34-85(35-18-57)74(96)58-19-32-84(33-20-58)72(94)56-15-28-82(29-16-56)67(90)23-38-101-43-46-102-39-25-76-65(88)10-5-6-59-54-80-61-8-2-1-7-60(59)61/h1-2,7-8,11-12,54-58,62,80H,3-6,9-10,13-53H2,(H2,75,87)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,81,89)
InChIKey	NJPMASUUPDSMGG-UHFFFAOYSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide (CHEBI:63106) is a C-nitro compound (CHEBI:35716)
	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide (CHEBI:63106) is a furans (CHEBI:24129)
	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide (CHEBI:63106) is a indoles (CHEBI:24828)
	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide (CHEBI:63106) is a polyether (CHEBI:46774)
	N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide (CHEBI:63106) is a tetrapeptide (CHEBI:48030)

IUPAC Name
N-(18-amino-18-oxo-3,6,9,12,15-pentaoxaoctadec-1-yl)-N²-{3-[2-(2-{[(1-{[1-({1-[(1-{3-[2-(2-{[4-(1H-indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)piperidin-4-yl]carbonyl}piperidin-4-yl)carbonyl]amino}ethoxy)ethoxy]propanoyl}-N⁶-(5-nitro-2-furoyl)lysinamide

Citations