(phenylmethyl) (2S)-2-[[2-[(3S)-4-methoxy-4-oxidanylidene-3-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]butyl]-3-octyl-phenyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-[(3S)-4-methoxy-4-oxidanylidene-3-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]butyl]-3-octyl-phenyl]-methyl-amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[2-[(3S)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-4-methoxy-4-oxo-butyl]-N-methyl-3-octyl-anilino]-3-methyl-butanoate CAS Name: (2S)-2-[2-[(3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methoxy-4-oxobutyl]-N-methyl-3-octylanilino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[2-[(3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methoxy-4-oxobutyl]-N-methyl-3-octylanilino]-3-methylbutanoate Traditional Name: (2S)-2-[2-[(3S)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-4-keto-4-methoxy-butyl]-N-methyl-3-octyl-anilino]-3-methyl-butyric acid benzyl ester Formula: C40H56N2O5 MolecularWeight: 644.88304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)CCC(C(=O)OC)NC(CO)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)N(C)[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2)CC[C@@H](C(=O)OC)N[C@@H](CO)C3=CC=CC=C3

InChI

InChI=1S/C40H56N2O5/c1-6-7-8-9-10-15-21-32-24-18-25-37(42(4)38(30(2)3)40(45)47-29-31-19-13-11-14-20-31)34(32)26-27-35(39(44)46-5)41-36(28-43)33-22-16-12-17-23-33/h11-14,16-20,22-25,30,35-36,38,41,43H,6-10,15,21,26-29H2,1-5H3/t35-,36-,38-/m0/s1