(2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-methoxy-3-oxidanylidene-propyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-methoxy-3-oxidanylidene-propyl]phenyl]propanoic acid Openeye Name: (2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-3-methoxy-3-oxo-propyl]phenyl]propanoic acid CAS Name: (2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-3-methoxy-3-oxopropyl]phenyl]propanoic acid IUPAC Name: (2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-methoxy-3-oxopropyl]phenyl]propanoic acid Traditional Name: (2S)-2-acetamido-3-[3-[(2S)-2-[[(2S)-6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-3-keto-3-methoxy-propyl]phenyl]propionic acid Formula: C26H40N4O8 MolecularWeight: 536.6178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC=C1)CC(C(=O)OC)NC(=O)C(CCCCN)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=CC=C1)C[C@@H](C(=O)OC)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H40N4O8/c1-16(31)28-20(23(33)34)14-17-9-8-10-18(13-17)15-21(24(35)37-5)29-22(32)19(11-6-7-12-27)30-25(36)38-26(2,3)4/h8-10,13,19-21H,6-7,11-12,14-15,27H2,1-5H3,(H,28,31)(H,29,32)(H,30,36)(H,33,34)/t19-,20-,21-/m0/s1