(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-naphthalen-2-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-naphthalen-2-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-(2-naphthylmethyl)-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-(2-naphthalenyl)-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-naphthalen-2-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-2-keto-1-(2-naphthylmethyl)ethyl]amino]-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C35H49N9O5 MolecularWeight: 675.82086

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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=CC5=CC=CC=C5C=C4)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=CC5=CC=CC=C5C=C4)C(=O)N

InChI

InChI=1S/C35H49N9O5/c36-25(10-5-15-40-35(38)39)33(48)44-27-11-4-3-9-24(27)19-29(44)34(49)43-16-6-12-28(43)32(47)41-20-30(45)42-26(31(37)46)18-21-13-14-22-7-1-2-8-23(22)17-21/h1-2,7-8,13-14,17,24-29H,3-6,9-12,15-16,18-20,36H2,(H2,37,46)(H,41,47)(H,42,45)(H4,38,39,40)/t24-,25+,26-,27-,28-,29-/m0/s1