(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butyric acid Formula: C31H56N10O11S MolecularWeight: 776.90174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C31H56N10O11S/c1-7-14(4)22(40-25(46)17(32)9-8-10-35-31(33)34)28(49)37-18(11-20(43)44)26(47)41-23(16(6)42)29(50)36-15(5)24(45)38-19(12-53)27(48)39-21(13(2)3)30(51)52/h13-19,21-23,42,53H,7-12,32H2,1-6H3,(H,36,50)(H,37,49)(H,38,45)(H,39,48)(H,40,46)(H,41,47)(H,43,44)(H,51,52)(H4,33,34,35)/t14-,15-,16+,17-,18-,19-,21-,22-,23-/m0/s1