(phenylmethyl) (2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propanoate CAS Name: (2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-[[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-[4-[bis(2-hydroxyethyl)amino]phenyl]propionic acid benzyl ester Formula: C31H37N3O7 MolecularWeight: 563.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)N(CCO)CCO)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)N(CCO)CCO)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H37N3O7/c1-23(32-31(39)41-22-26-10-6-3-7-11-26)29(37)33-28(30(38)40-21-25-8-4-2-5-9-25)20-24-12-14-27(15-13-24)34(16-18-35)17-19-36/h2-15,23,28,35-36H,16-22H2,1H3,(H,32,39)(H,33,37)/t23-,28+/m1/s1