prop-2-enyl (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(Z)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (4R,5S,6S)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(Z)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl (4R,5S,6S)-3-[(3S,5S)-1-allyloxycarbonyl-5-[(Z)-3-(allyloxycarbonylamino)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-1-[oxo(prop-2-enoxy)methyl]-5-[(Z)-3-[[oxo(prop-2-enoxy)methyl]amino]prop-1-enyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[(Z)-3-(prop-2-enoxycarbonylamino)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-3-[[(3S,5S)-1-allyloxycarbonyl-5-[(Z)-3-(allyloxycarbonylamino)prop-1-enyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C28H37N3O8S MolecularWeight: 575.67368

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C=CCNC(=O)OCC=C)C(=O)OCC=C)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC=C)/C=C\CNC(=O)OCC=C)C(=O)OCC=C)[C@@H](C)O

InChI

InChI=1S/C28H37N3O8S/c1-6-12-37-26(34)23-24(17(4)22-21(18(5)32)25(33)31(22)23)40-20-15-19(30(16-20)28(36)39-14-8-3)10-9-11-29-27(35)38-13-7-2/h6-10,17-22,32H,1-3,11-16H2,4-5H3,(H,29,35)/b10-9-/t17-,18-,19-,20+,21-,22-/m1/s1