(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-hexan-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-hexan-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]pentyl]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-oxohexan-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-oxohexan-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]pentyl]pyrrolidine-2-carboxamide Formula: C35H55N9O5 MolecularWeight: 681.8685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[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/C35H55N9O5/c1-2-3-15-25(31(46)42-26(30(37)45)20-22-11-5-4-6-12-22)41-32(47)28-17-10-19-43(28)34(49)29-21-23-13-7-8-16-27(23)44(29)33(48)24(36)14-9-18-40-35(38)39/h4-6,11-12,23-29H,2-3,7-10,13-21,36H2,1H3,(H2,37,45)(H,41,47)(H,42,46)(H4,38,39,40)/t23-,24+,25+,26-,27-,28-,29-/m0/s1