MTC B (CHEBI:210867)

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CHEBI:210867 - MTC B

ChEBI ID	CHEBI:210867
ChEBI Name	MTC B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C92H152N22O24
Net Charge	0
Average Mass	1950.358
Monoisotopic Mass	1949.13498
SMILES	CCC(C)(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(CCC(N)=O)C(=O)CC(CCC(N)=O)C(=O)NC(CO)Cc1ccccc1
InChI	InChI=1S/C92H152N22O24/c1-27-92(26,83(137)103-57(36-39-63(94)119)61(117)44-55(35-38-62(93)118)71(125)100-56(46-115)43-54-32-29-28-30-33-54)113-82(136)90(22,23)112-75(129)66(48(4)5)104-74(128)60-34-31-41-114(60)84(138)91(24,25)110-73(127)59(42-47(2)3)101-65(121)45-96-77(131)85(12,13)111-76(130)67(49(6)7)105-81(135)89(20,21)109-72(126)58(37-40-64(95)120)102-68(122)50(8)97-79(133)87(16,17)107-70(124)52(10)99-80(134)88(18,19)108-69(123)51(9)98-78(132)86(14,15)106-53(11)116/h28-30,32-33,47-52,55-60,66-67,115H,27,31,34-46H2,1-26H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,133)(H,98,132)(H,99,134)(H,100,125)(H,101,121)(H,102,122)(H,103,137)(H,104,128)(H,105,135)(H,106,116)(H,107,124)(H,108,123)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)
InChIKey	OJGNICPVUZXGQM-UHFFFAOYSA-N

Roles Classification

Chemical Role:

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

ChEBI Ontology

Outgoing Relation(s)
	MTC B (CHEBI:210867) is a peptide (CHEBI:16670)

IUPAC Name
6-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-3-N-(1-hydroxy-3-phenylpropan-2-yl)-5-oxooctane-1,3,8-tricarboxamide

IUPAC Name

6-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[[2-[2-[(2-acetamido-2-methylpropanoyl)amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylbutanoyl]amino]-3-N-(1-hydroxy-3-phenylpropan-2-yl)-5-oxooctane-1,3,8-tricarboxamide

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