IUPAC Name
(4S)-5-[[(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-[[(2S)-1-carboxy-4-(2,6-dimethylbenzoyl)oxy-3-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
Synonyms
L-Lysinamide, N-[(phenylmethoxy)carbonyl]-L-α-glutamyl-N-[(1S)-1-(carboxymethyl)-3-[(2,6-dimethylbenzoyl)oxy]-2-oxopropyl]-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-; 2,6-dimethyl-benzoic acid (S)-3-{(S)-2-((S)-2-benzyloxycarbonylamino-4-carboxy-butyrylamino)-6-[5-((3aS,4S,6aR)-2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoylamino]-hexanoylamino}-4-carboxy-2-oxo-butyl ester
Boiling Point
1249.108±65.00 °C at 760 mmHg
InChI
InChI=1S/C43H56N6O13S/c1-25-11-10-12-26(2)37(25)41(58)61-23-32(50)30(21-36(54)55)46-39(56)28(45-40(57)29(18-19-35(52)53)48-43(60)62-22-27-13-4-3-5-14-27)15-8-9-20-44-34(51)17-7-6-16-33-38-31(24-63-33)47-42(59)49-38/h3-5,10-14,28-31,33,38H,6-9,15-24H2,1-2H3,(H,44,51)(H,45,57)(H,46,56)(H,48,60)(H,52,53)(H,54,55)(H2,47,49,59)/t28-,29-,30-,31-,33-,38-/m0/s1
InChI Key
DXRWCYYTXSVDDW-OYTIJHINSA-N
Canonical SMILES
C(CCCC(NCCCC[C@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)CCC(O)=O)=O)C(N[C@H](C(COC(=O)C2=C(C)C=CC=C2C)=O)CC(O)=O)=O)=O)[C@H]3[C@@]4([C@](CS3)(NC(=O)N4)[H])[H]
![N-[(Phenylmethoxy)carbonyl]-L-α-glutamyl-N-[(1S)-1-(carboxymethyl)-3-[(2,6-dimethylbenzoyl)oxy]-2-oxopropyl]-N6-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-lysinamide](https://resource.bocsci.com/structure/351858-62-3.gif)
