4-azanyl-3-[[(4S,7S,10S)-4-(2-azanyl-2-oxidanylidene-ethyl)-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-(2-azanyl-2-oxidanylidene-ethyl)-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-(2-amino-2-oxo-ethyl)-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-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-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-(2-amino-2-keto-ethyl)-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: C22H26IN7O11 MolecularWeight: 691.38661

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H26IN7O11/c1-8-19(35)27-12(21(37)28-13(18(25)34)7-16(32)33)2-3-41-17-10(4-9(30(39)40)5-11(17)23)20(36)29-14(6-15(24)31)22(38)26-8/h4-5,8,12-14H,2-3,6-7H2,1H3,(H2,24,31)(H2,25,34)(H,26,38)(H,27,35)(H,28,37)(H,29,36)(H,32,33)/t8-,12-,13?,14-/m0/s1