ethyl 6-azanyl-2-[(1S,2S)-1-[[(2S)-3-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]amino]-3-[(4S,5R)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-3-oxidanylidene-propyl]pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-azanyl-2-[(1S,2S)-1-[[(2S)-3-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]amino]-3-[(4S,5R)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-3-oxidanylidene-propyl]pyrimidine-4-carboxylate Openeye Name: ethyl 6-amino-2-[(1S,2S)-1-[[(2S)-3-amino-2-(tert-butoxycarbonylamino)-3-oxo-propyl]amino]-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-2-methylsulfanyl-3-oxo-propyl]pyrimidine-4-carboxylate CAS Name: 6-amino-2-[(1S,2S)-1-[[(2S)-3-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]amino]-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-2-(methylthio)-3-oxopropyl]-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[(1S,2S)-1-[[(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]amino]-3-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-2-methylsulfanyl-3-oxopropyl]pyrimidine-4-carboxylate Traditional Name: 6-amino-2-[(1S,2S)-1-[[(2S)-3-amino-2-(tert-butoxycarbonylamino)-3-keto-propyl]amino]-3-keto-3-[(4S,5R)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]-2-(methylthio)propyl]pyrimidine-4-carboxylic acid ethyl ester Formula: C29H39N7O8S MolecularWeight: 645.72706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=N1)C(C(C(=O)N2C(C(OC2=O)C3=CC=CC=C3)C)SC)NCC(C(=O)N)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=N1)[C@@H]([C@@H](C(=O)N2[C@H]([C@H](OC2=O)C3=CC=CC=C3)C)SC)NC[C@@H](C(=O)N)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C29H39N7O8S/c1-7-42-26(39)17-13-19(30)35-24(33-17)20(32-14-18(23(31)37)34-27(40)44-29(3,4)5)22(45-6)25(38)36-15(2)21(43-28(36)41)16-11-9-8-10-12-16/h8-13,15,18,20-22,32H,7,14H2,1-6H3,(H2,31,37)(H,34,40)(H2,30,33,35)/t15-,18-,20+,21-,22-/m0/s1