(2S)-1-[[(2S,3aS,7aS)-1-[(2R)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonyl]-N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[[(2S,3aS,7aS)-1-[(2R)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]carbonyl]-N-[(2R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S,3aS,7aS)-1-[(2R)-2-amino-5-guanidino-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]-N-[(1R)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]propyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2S,3aS,7aS)-1-[(2R)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]-oxomethyl]-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S,3aS,7aS)-1-[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S,3aS,7aS)-1-[(2R)-2-amino-5-guanidino-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]-N-[(1R)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]propyl]pyrrolidine-2-carboxamide Formula: C33H51N9O5 MolecularWeight: 653.81534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C3CC4CCCCC4N3C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)[C@@H](CCCN=C(N)N)N

InChI

InChI=1S/C33H51N9O5/c1-2-23(29(44)40-24(28(35)43)18-20-10-4-3-5-11-20)39-30(45)26-15-9-17-41(26)32(47)27-19-21-12-6-7-14-25(21)42(27)31(46)22(34)13-8-16-38-33(36)37/h3-5,10-11,21-27H,2,6-9,12-19,34H2,1H3,(H2,35,43)(H,39,45)(H,40,44)(H4,36,37,38)/t21-,22+,23+,24-,25-,26-,27-/m0/s1