methyl (2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxy-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-5-benzyloxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-5-phenylmethoxypentyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoyl]amino]-3-phenylpropanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-5-benzoxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C37H47N3O8 MolecularWeight: 661.78438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCOCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCOCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C37H47N3O8/c1-37(2,3)48-36(45)39-30(17-12-22-47-25-28-15-10-7-11-16-28)33(42)38-31(23-26-13-8-6-9-14-26)34(43)40(4)32(35(44)46-5)24-27-18-20-29(41)21-19-27/h6-11,13-16,18-21,30-32,41H,12,17,22-25H2,1-5H3,(H,38,42)(H,39,45)/t30-,31-,32-/m0/s1