(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-[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]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-[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]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-[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]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-[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-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-[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]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-[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C33H48N10O5 MolecularWeight: 664.79822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CC(N2C(=O)C(CCCN=C(N)N)N)C(=O)N3CCCC3C(=O)NCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H](CCCN=C(N)N)N)C(=O)N3CCC[C@H]3C(=O)NCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C33H48N10O5/c34-22(9-5-13-38-33(36)37)31(47)43-25-11-4-1-7-19(25)16-27(43)32(48)42-14-6-12-26(42)30(46)40-18-28(44)41-24(29(35)45)15-20-17-39-23-10-3-2-8-21(20)23/h2-3,8,10,17,19,22,24-27,39H,1,4-7,9,11-16,18,34H2,(H2,35,45)(H,40,46)(H,41,44)(H4,36,37,38)/t19-,22+,24-,25-,26-,27-/m0/s1