(3S,6S,11S,14S,17S)-3-(4-azanylbutyl)-6-[3-[bis(azanyl)methylideneamino]propyl]-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentakis(oxidanylidene)-1,4,7,12,15-pentazabicyclo[15.3.0]icosane-11-carboxylic acid

Systemtic Name: (3S,6S,11S,14S,17S)-3-(4-azanylbutyl)-6-[3-[bis(azanyl)methylideneamino]propyl]-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentakis(oxidanylidene)-1,4,7,12,15-pentazabicyclo[15.3.0]icosane-11-carboxylic acid Openeye Name: (3S,6S,11S,14S,17S)-3-(4-aminobutyl)-6-(3-guanidinopropyl)-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentaoxo-1,4,7,12,15-pentazabicyclo[15.3.0]icosane-11-carboxylic acid CAS Name: (3S,6S,11S,14S,17S)-3-(4-aminobutyl)-6-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentaoxo-1,4,7,12,15-pentazabicyclo[15.3.0]eicosane-11-carboxylic acid IUPAC Name: (3S,6S,11S,14S,17S)-3-(4-aminobutyl)-6-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentaoxo-1,4,7,12,15-pentazabicyclo[15.3.0]icosane-11-carboxylic acid Traditional Name: (3S,6S,11S,14S,17S)-3-(4-aminobutyl)-6-(3-guanidinopropyl)-14-(1H-indol-3-ylmethyl)-2,5,8,13,16-pentaketo-1,4,7,12,15-pentazabicyclo[15.3.0]eicosane-11-carboxylic acid Formula: C33H48N10O7 MolecularWeight: 696.79702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=O)NC(C(=O)NC(CCC(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCN=C(N)N)C(=O)O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCN)CCCN=C(N)N)C(=O)O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C33H48N10O7/c34-14-4-3-9-23-31(48)43-16-6-11-26(43)30(47)42-25(17-19-18-38-21-8-2-1-7-20(19)21)29(46)41-24(32(49)50)12-13-27(44)39-22(28(45)40-23)10-5-15-37-33(35)36/h1-2,7-8,18,22-26,38H,3-6,9-17,34H2,(H,39,44)(H,40,45)(H,41,46)(H,42,47)(H,49,50)(H4,35,36,37)/t22-,23-,24-,25-,26-/m0/s1