(2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C38H41N3O8 MolecularWeight: 667.74744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)OC)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)O)C(=O)C(CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN([C@@H](CC1=CC=C(C=C1)OC)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)O)C(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H41N3O8/c1-40(35(43)32(22-27-14-18-30(42)19-15-27)39-38(47)49-25-29-12-8-5-9-13-29)33(23-28-16-20-31(48-3)21-17-28)36(44)41(2)34(37(45)46)24-26-10-6-4-7-11-26/h4-21,32-34,42H,22-25H2,1-3H3,(H,39,47)(H,45,46)/t32-,33+,34+/m1/s1