MTC D (CHEBI:211943)

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CHEBI:211943 - MTC D

ChEBI ID	CHEBI:211943
ChEBI Name	MTC D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C93H154N22O24
Net Charge	0
Average Mass	1964.385
Monoisotopic Mass	1963.15063
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)(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/C93H154N22O24/c1-28-93(27,83(138)102-57(37-40-63(95)120)61(118)45-55(36-39-62(94)119)70(125)100-56(47-116)44-54-33-30-29-31-34-54)114-82(137)91(23,24)112-74(129)66(49(4)5)104-73(128)60-35-32-42-115(60)84(139)92(25,26)110-72(127)59(43-48(2)3)101-65(122)46-97-76(131)85(11,12)111-75(130)67(50(6)7)105-80(135)88(17,18)109-71(126)58(38-41-64(96)121)103-79(134)89(19,20)113-81(136)90(21,22)108-69(124)52(9)99-78(133)87(15,16)107-68(123)51(8)98-77(132)86(13,14)106-53(10)117/h29-31,33-34,48-52,55-60,66-67,116H,28,32,35-47H2,1-27H3,(H2,94,119)(H2,95,120)(H2,96,121)(H,97,131)(H,98,132)(H,99,133)(H,100,125)(H,101,122)(H,102,138)(H,103,134)(H,104,128)(H,105,135)(H,106,117)(H,107,123)(H,108,124)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)(H,114,137)
InChIKey	JOMWJUJGDPDGLE-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 D (CHEBI:211943) 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]-2-methylpropanoyl]amino]-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]-2-methylpropanoyl]amino]-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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