4-azanyl-3-[[(4S,7S,10S)-4-[3-[bis(azanyl)methylideneamino]propyl]-15-iodanyl-7-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-10-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-[[(4S,7S,10S)-4-[3-[bis(azanyl)methylideneamino]propyl]-15-iodanyl-7-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-10-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-[[(4S,7S,10S)-4-(3-guanidinopropyl)-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-3-[[[(4S,7S,10S)-4-[3-(diaminomethylideneamino)propyl]-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-10-yl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-3-[[(4S,7S,10S)-4-[3-(diaminomethylideneamino)propyl]-15-iodo-7-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-3-[[(4S,7S,10S)-4-(3-guanidinopropyl)-15-iodo-2,5,8-triketo-7-methyl-17-nitro-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carbonyl]amino]-4-keto-butyric acid Formula: C24H32IN9O10 MolecularWeight: 733.46965

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(CCOC2=C(C=C(C=C2C(=O)NC(C(=O)N1)CCCN=C(N)N)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N

Isomeric SMILES

C[C@H]1C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N

InChI

InChI=1S/C24H32IN9O10/c1-10-20(38)31-15(23(41)33-16(19(26)37)9-17(35)36)4-6-44-18-12(7-11(34(42)43)8-13(18)25)21(39)32-14(22(40)30-10)3-2-5-29-24(27)28/h7-8,10,14-16H,2-6,9H2,1H3,(H2,26,37)(H,30,40)(H,31,38)(H,32,39)(H,33,41)(H,35,36)(H4,27,28,29)/t10-,14-,15-,16?/m0/s1