(2S,5R,6R)-6-[[(2R)-2-[[2-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-[[2-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[(2R)-2-[[2-(4-acetylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[(2R)-2-[[[2-(4-acetyl-1-piperazinyl)-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-[[2-(4-acetylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[(2R)-2-[[2-(4-acetylpiperazino)-5-keto-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C30H32N8O8S MolecularWeight: 664.68888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC=C3C(=O)C(=CNC3=N2)C(=O)N[C@H](C4=CC=C(C=C4)O)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O

InChI

InChI=1S/C30H32N8O8S/c1-14(39)36-8-10-37(11-9-36)29-32-12-17-21(41)18(13-31-23(17)35-29)24(42)33-19(15-4-6-16(40)7-5-15)25(43)34-20-26(44)38-22(28(45)46)30(2,3)47-27(20)38/h4-7,12-13,19-20,22,27,40H,8-11H2,1-3H3,(H,33,42)(H,34,43)(H,45,46)(H,31,32,35,41)/t19-,20-,22+,27-/m1/s1