methyl (2R)-2-[[(2S)-2-[[(2R)-2-azanyl-2-[3,5-bis(chloranyl)-4-methoxy-phenyl]ethanoyl]-methyl-amino]-3-(4-fluoranyl-3-nitro-phenyl)propanoyl]amino]-2-(4-methoxyphenyl)ethanoate

Systemtic Name: methyl (2R)-2-[[(2S)-2-[[(2R)-2-azanyl-2-[3,5-bis(chloranyl)-4-methoxy-phenyl]ethanoyl]-methyl-amino]-3-(4-fluoranyl-3-nitro-phenyl)propanoyl]amino]-2-(4-methoxyphenyl)ethanoate Openeye Name: methyl (2R)-2-[[(2S)-2-[[(2R)-2-amino-2-(3,5-dichloro-4-methoxy-phenyl)acetyl]-methyl-amino]-3-(4-fluoro-3-nitro-phenyl)propanoyl]amino]-2-(4-methoxyphenyl)acetate CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-amino-2-(3,5-dichloro-4-methoxyphenyl)-1-oxoethyl]-methylamino]-3-(4-fluoro-3-nitrophenyl)-1-oxopropyl]amino]-2-(4-methoxyphenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-2-[[(2R)-2-amino-2-(3,5-dichloro-4-methoxyphenyl)acetyl]-methylamino]-3-(4-fluoro-3-nitrophenyl)propanoyl]amino]-2-(4-methoxyphenyl)acetate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-amino-2-(3,5-dichloro-4-methoxy-phenyl)acetyl]-methyl-amino]-3-(4-fluoro-3-nitro-phenyl)propanoyl]amino]-2-(4-methoxyphenyl)acetic acid methyl ester Formula: C29H29Cl2FN4O8 MolecularWeight: 651.466963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)NC(C2=CC=C(C=C2)OC)C(=O)OC)C(=O)C(C3=CC(=C(C(=C3)Cl)OC)Cl)N

Isomeric SMILES

CN([C@@H](CC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)N[C@H](C2=CC=C(C=C2)OC)C(=O)OC)C(=O)[C@@H](C3=CC(=C(C(=C3)Cl)OC)Cl)N

InChI

InChI=1S/C29H29Cl2FN4O8/c1-35(28(38)24(33)17-13-19(30)26(43-3)20(31)14-17)23(12-15-5-10-21(32)22(11-15)36(40)41)27(37)34-25(29(39)44-4)16-6-8-18(42-2)9-7-16/h5-11,13-14,23-25H,12,33H2,1-4H3,(H,34,37)/t23-,24+,25+/m0/s1