4-azanyl-3-[[(4S,7S,10S)-7-(hydroxymethyl)-16-iodanyl-18-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-10-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-3-[[(4S,7S,10S)-7-(hydroxymethyl)-16-iodanyl-18-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-10-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-[[(4S,7S,10S)-7-(hydroxymethyl)-16-iodo-4-isopropyl-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-3-[[[(4S,7S,10S)-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-10-yl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-3-[[(4S,7S,10S)-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-3-[[(4S,7S,10S)-16-iodo-4-isopropyl-2,5,8-triketo-7-methylol-18-nitro-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carbonyl]amino]-4-keto-butyric acid Formula: C24H32IN7O10 MolecularWeight: 705.45625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C(=O)NC(CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)NC(CC(=O)O)C(=O)N)CO

InChI

InChI=1S/C24H32IN7O10/c1-10(2)18-24(40)30-16(9-33)23(39)28-14(22(38)29-15(20(26)36)8-17(34)35)4-3-5-27-19-12(21(37)31-18)6-11(32(41)42)7-13(19)25/h6-7,10,14-16,18,27,33H,3-5,8-9H2,1-2H3,(H2,26,36)(H,28,39)(H,29,38)(H,30,40)(H,31,37)(H,34,35)/t14-,15?,16-,18-/m0/s1