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Substance Name: EINECS 275-853-7
RN: 71700-97-5
InChIKey: CPOUXBBRXYLIOU-AWOLUBSPSA-N

Molecular Formula

  • C32-H36-N6-O7-S2

Molecular Weight

  • 680.8034
 
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Names and Synonyms

Results Name

  • EINECS 275-853-7

Synonym

  • EINECS 275-853-7

Systematic Name

  • (2S-(2alpha(2'R*,5'S*,6'S*(S*)),5alpha,6beta(S*)))-6-((Aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic anhydride

Registry Numbers

CAS Registry Number

  • 71700-97-5

System Generated Number

  • 0071700975

Structure Descriptors

InChI

1S/C32H36N6O7S2/c1-31(2)21(37-25(41)19(27(37)46-31)35-23(39)17(33)15-11-7-5-8-12-15)29(43)45-30(44)22-32(3,4)47-28-20(26(42)38(22)28)36-24(40)18(34)16-13-9-6-10-14-16/h5-14,17-22,27-28H,33-34H2,1-4H3,(H,35,39)(H,36,40)/t17?,18?,19-,20-,21+,22+,27-,28-/m1/s1

InChIKey

CPOUXBBRXYLIOU-AWOLUBSPSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)N)C(=O)OC(=O)[C@H]4C(S[C@H]5N4C(=O)[C@H]5NC(=O)C(c6ccccc6)N)(C)C)C