(2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]carbonyl-[(2R)-4-propoxypyrrolidin-2-yl]carbonyl-amino]-4-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-5-oxidanyl-3-oxidanylidene-pentanoic acid

Systemtic Name: (2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]carbonyl-[(2R)-4-propoxypyrrolidin-2-yl]carbonyl-amino]-4-azanyl-2-[3-[bis(azanyl)methylideneamino]propyl]-5-oxidanyl-3-oxidanylidene-pentanoic acid Openeye Name: (2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R)-4-propoxypyrrolidine-2-carbonyl]amino]-4-amino-2-(3-guanidinopropyl)-5-hydroxy-3-oxo-pentanoic acid CAS Name: (2R,4S)-2-[[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-oxomethyl]-[oxo-[(2R)-4-propoxy-2-pyrrolidinyl]methyl]amino]-4-amino-2-[3-(diaminomethylideneamino)propyl]-5-hydroxy-3-oxopentanoic acid IUPAC Name: (2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R)-4-propoxypyrrolidine-2-carbonyl]amino]-4-amino-2-[3-(diaminomethylideneamino)propyl]-5-hydroxy-3-oxopentanoic acid Traditional Name: (2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R)-4-propoxyprolyl]amino]-4-amino-2-(3-guanidinopropyl)-5-hydroxy-3-keto-valeric acid Formula: C26H45N7O7 MolecularWeight: 567.6782

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CC(NC1)C(=O)N(C(=O)C2CC3CCCCC3N2)C(CCCN=C(N)N)(C(=O)C(CO)N)C(=O)O

Isomeric SMILES

CCCOC1C[C@@H](NC1)C(=O)N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)[C@](CCCN=C(N)N)(C(=O)[C@H](CO)N)C(=O)O

InChI

InChI=1S/C26H45N7O7/c1-2-10-40-16-12-19(31-13-16)22(36)33(23(37)20-11-15-6-3-4-7-18(15)32-20)26(24(38)39,21(35)17(27)14-34)8-5-9-30-25(28)29/h15-20,31-32,34H,2-14,27H2,1H3,(H,38,39)(H4,28,29,30)/t15-,16?,17-,18+,19+,20-,26+/m0/s1