(6R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Q27167005)

SCHEMBL8943624 (English)

10 October 2016

chemical formula

C₁₅H₁₄ClN₃O₄S

1 reference

SCHEMBL8943624 (English)

10 October 2016

canonical SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl

1 reference

SCHEMBL8943624 (English)

10 October 2016

isomeric SMILES

C1C(=C(N2[C@H](S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl

1 reference

SCHEMBL8943624 (English)

InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9?,10?,14-/m1/s1

10 October 2016

Identifiers

InChI

1 reference

SCHEMBL8943624 (English)

QYIYFLOTGYLRGG-RPFQZYLTSA-N

10 October 2016

InChIKey

2 references

SCHEMBL8943624 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

2 references

SCHEMBL8943624 (English)

matched by identifier from

10 October 2016

InChIKey

QYIYFLOTGYLRGG-RPFQZYLTSA-N

ChEBI ID

95194

mapping relation type

2 references

(6R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (English)