(2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-mercapto-propionic acid Formula: C32H53N11O9S2 MolecularWeight: 799.96152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N

InChI

InChI=1S/C32H53N11O9S2/c33-11-5-4-9-21(40-26(46)19(34)16-53)28(48)42-22(13-18-7-2-1-3-8-18)29(49)41-20(10-6-12-37-32(35)36)27(47)38-14-25(45)39-23(15-44)30(50)43-24(17-54)31(51)52/h1-3,7-8,19-24,44,53-54H,4-6,9-17,33-34H2,(H,38,47)(H,39,45)(H,40,46)(H,41,49)(H,42,48)(H,43,50)(H,51,52)(H4,35,36,37)/t19-,20-,21-,22-,23-,24-/m0/s1