(phenylmethyl) 3-[[(3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanyl-pentanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanyl-pentanoyl]amino]propanoate Openeye Name: benzyl 3-[[(3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-hydroxy-pentanoyl]amino]propanoate CAS Name: 3-[[(3S)-2-hydroxy-3-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxopentyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(3S)-2-hydroxy-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]propanoate Traditional Name: 3-[[(3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-hydroxy-pentanoyl]amino]propionic acid benzyl ester Formula: C29H39N3O7 MolecularWeight: 541.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)NCCC(=O)OCC1=CC=CC=C1)O)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H](C(C(=O)NCCC(=O)OCC1=CC=CC=C1)O)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H39N3O7/c1-4-23(26(34)28(36)30-16-15-25(33)38-18-21-11-7-5-8-12-21)31-27(35)24(17-20(2)3)32-29(37)39-19-22-13-9-6-10-14-22/h5-14,20,23-24,26,34H,4,15-19H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t23-,24-,26?/m0/s1