(2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[2-[[(2S)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[2-[[(2S)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-4-(methylthio)-1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]butyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-methyl-2-[[(2S)-4-methylsulfanyl-2-[[2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-3-methyl-2-[[(2S)-4-(methylthio)-2-[[2-[[(2S)-1-[(2S)-prolyl]prolyl]amino]acetyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]glutaric acid Formula: C39H63N13O11S MolecularWeight: 922.06302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCSC)NC(=O)CNC(=O)C2CCCN2C(=O)C3CCCN3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3

InChI

InChI=1S/C39H63N13O11S/c1-21(2)31(51-33(57)24(12-16-64-3)47-29(53)19-45-35(59)28-9-6-15-52(28)37(61)25-8-5-13-43-25)36(60)48-23(7-4-14-44-39(40)41)32(56)50-27(17-22-18-42-20-46-22)34(58)49-26(38(62)63)10-11-30(54)55/h18,20-21,23-28,31,43H,4-17,19H2,1-3H3,(H,42,46)(H,45,59)(H,47,53)(H,48,60)(H,49,58)(H,50,56)(H,51,57)(H,54,55)(H,62,63)(H4,40,41,44)/t23-,24-,25-,26-,27-,28-,31-/m0/s1