N-((1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}acetamide (CHEBI:45643)

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CHEBI:45643 - N-((1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}acetamide

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ChEBI ID	CHEBI:45643
ChEBI Name	N-((1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}acetamide
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C30H33N7O5S
Net Charge	0
Average Mass	603.705
Monoisotopic Mass	603.22639
SMILES	[H]/N=C(/N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])=O)N([H])C(=O)C([H])([H])N1C(=O)[C@@]([H])(N([H])S(=O)(=O)C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])N=C(c2c([H])c([H])c([H])c([H])c2[H])c2c([H])c([H])c([H])c([H])c21
InChI	InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1
InChIKey	JVZSQVNCJHGRDE-NEKDWFFYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-((1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}acetamide (CHEBI:45643) is a unclassifieds (CHEBI:27189)

Synonyms	Source
2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide	PDBeChem
N-((1S)-4-{[amino(imino)methyl]amino}-1-formylbutyl)-2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}acetamide	PDBeChem

Manual Xrefs	Databases
SL1	PDBeChem