2-[2-[4-[[2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]phenyl]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[4-[[2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]phenyl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]phenyl]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[4-[[2-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]phenyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[4-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]phenyl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]phenyl]acetyl]amino]succinic acid Formula: C26H32N4O8 MolecularWeight: 528.55428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C26H32N4O8/c27-20(8-4-5-13-28-26(37)38-16-18-6-2-1-3-7-18)24(34)29-19-11-9-17(10-12-19)14-22(31)30-21(25(35)36)15-23(32)33/h1-3,6-7,9-12,20-21H,4-5,8,13-16,27H2,(H,28,37)(H,29,34)(H,30,31)(H,32,33)(H,35,36)