tert-butyl (2R)-2-[[(2S)-2-azanyl-4-[bis(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: tert-butyl (2R)-2-[[(2S)-2-azanyl-4-[bis(4-methoxyphenyl)methylamino]-4-oxidanylidene-butanoyl]amino]-2-[4-methoxy-3,5-bis(oxidanyl)phenyl]ethanoate Openeye Name: tert-butyl (2R)-2-[[(2S)-2-amino-4-[bis(4-methoxyphenyl)methylamino]-4-oxo-butanoyl]amino]-2-(3,5-dihydroxy-4-methoxy-phenyl)acetate CAS Name: (2R)-2-[[(2S)-2-amino-4-[bis(4-methoxyphenyl)methylamino]-1,4-dioxobutyl]amino]-2-(3,5-dihydroxy-4-methoxyphenyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[(2S)-2-amino-4-[bis(4-methoxyphenyl)methylamino]-4-oxobutanoyl]amino]-2-(3,5-dihydroxy-4-methoxyphenyl)acetate Traditional Name: (2R)-2-[[(2S)-2-amino-4-[bis(4-methoxyphenyl)methylamino]-4-keto-butanoyl]amino]-2-(3,5-dihydroxy-4-methoxy-phenyl)acetic acid tert-butyl ester Formula: C32H39N3O9 MolecularWeight: 609.66676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC(=C(C(=C1)O)OC)O)NC(=O)C(CC(=O)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](C1=CC(=C(C(=C1)O)OC)O)NC(=O)[C@H](CC(=O)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N

InChI

InChI=1S/C32H39N3O9/c1-32(2,3)44-31(40)28(20-15-24(36)29(43-6)25(37)16-20)35-30(39)23(33)17-26(38)34-27(18-7-11-21(41-4)12-8-18)19-9-13-22(42-5)14-10-19/h7-16,23,27-28,36-37H,17,33H2,1-6H3,(H,34,38)(H,35,39)/t23-,28+/m0/s1