7-[2-[2-(aminomethyl)phenyl]ethanoylamino]-3-[[1-(carboxymethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dimethyl-1-phenyl-methanamine

Systemtic Name: 7-[2-[2-(aminomethyl)phenyl]ethanoylamino]-3-[[1-(carboxymethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dimethyl-1-phenyl-methanamine Openeye Name: 7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dimethyl-1-phenyl-methanamine CAS Name: 7-[[2-[2-(aminomethyl)phenyl]-1-oxoethyl]amino]-3-[[[1-(carboxymethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dimethyl-1-phenylmethanamine IUPAC Name: 7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; N,N-dimethyl-1-phenylmethanamine Traditional Name: 7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; benzyl(dimethyl)amine Formula: C29H34N8O6S2 MolecularWeight: 654.76026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1.C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O

Isomeric SMILES

CN(C)CC1=CC=CC=C1.C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3CN)C(=O)O)CSC4=NN=NN4CC(=O)O

InChI

InChI=1S/C20H21N7O6S2.C9H13N/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30;1-10(2)8-9-6-4-3-5-7-9/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33);3-7H,8H2,1-2H3