7-[[2-[4-[1,1-bis(azanyl)-2-(2-carboxyethyloxy)-2-oxidanylidene-ethyl]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-[4-[1,1-bis(azanyl)-2-(2-carboxyethyloxy)-2-oxidanylidene-ethyl]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[1,1-diamino-2-(2-carboxyethyloxy)-2-oxo-ethyl]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[1,1-diamino-2-(2-carboxyethyloxy)-2-oxoethyl]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[1,1-diamino-2-(2-carboxyethyloxy)-2-oxoethyl]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[1,1-diamino-2-(2-carboxyethyloxy)-2-keto-ethyl]phenyl]-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H35N11O11S2 MolecularWeight: 789.796

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)C(C(=O)OCCC(=O)O)(N)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)C(C(=O)OCCC(=O)O)(N)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

InChI

InChI=1S/C30H35N11O11S2/c1-3-39-9-10-40(24(47)23(39)46)28(51)34-18(14-4-6-16(7-5-14)30(31,32)27(50)52-11-8-17(42)43)21(44)33-19-22(45)41-20(26(48)49)15(12-53-25(19)41)13-54-29-35-36-37-38(29)2/h4-7,18-19,25H,3,8-13,31-32H2,1-2H3,(H,33,44)(H,34,51)(H,42,43)(H,48,49)