4-azanyl-3-[[(4S,7S,10S)-4-(2-carboxyethyl)-7-(hydroxymethyl)-15-iodanyl-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-carboxyethyl)-7-(hydroxymethyl)-15-iodanyl-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-carboxyethyl)-7-(hydroxymethyl)-15-iodo-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-carboxyethyl)-7-(hydroxymethyl)-15-iodo-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-carboxyethyl)-7-(hydroxymethyl)-15-iodo-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-carboxyethyl)-15-iodo-2,5,8-triketo-7-methylol-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: C23H27IN6O13 MolecularWeight: 722.39735

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2C(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(CC(=O)O)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I

Isomeric SMILES

C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)NC(CC(=O)O)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I

InChI

InChI=1S/C23H27IN6O13/c24-11-6-9(30(41)42)5-10-18(11)43-4-3-13(22(39)28-14(19(25)36)7-17(34)35)27-23(40)15(8-31)29-21(38)12(26-20(10)37)1-2-16(32)33/h5-6,12-15,31H,1-4,7-8H2,(H2,25,36)(H,26,37)(H,27,40)(H,28,39)(H,29,38)(H,32,33)(H,34,35)/t12-,13-,14?,15-/m0/s1