(2S)-3-[2-[(3S)-3-[[(2S)-2-azanyl-6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyl]amino]-4-methoxy-4-oxidanylidene-butyl]-1,3-benzoxazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[2-[(3S)-3-[[(2S)-2-azanyl-6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyl]amino]-4-methoxy-4-oxidanylidene-butyl]-1,3-benzoxazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[2-[(3S)-3-[[(2S)-2-amino-6-(1,3-dioxoisoindolin-2-yl)hexanoyl]amino]-4-methoxy-4-oxo-butyl]-1,3-benzoxazol-4-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[2-[(3S)-3-[[(2S)-2-amino-6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-4-methoxy-4-oxobutyl]-1,3-benzoxazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[2-[(3S)-3-[[(2S)-2-amino-6-(1,3-dioxoisoindol-2-yl)hexanoyl]amino]-4-methoxy-4-oxobutyl]-1,3-benzoxazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[2-[(3S)-3-[[(2S)-2-amino-6-phthalimido-hexanoyl]amino]-4-keto-4-methoxy-butyl]-1,3-benzoxazol-4-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C37H39N5O10 MolecularWeight: 713.73306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=NC2=C(C=CC=C2O1)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3)NC(=O)C(CCCCN4C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

COC(=O)[C@H](CCC1=NC2=C(C=CC=C2O1)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CCCCN4C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C37H39N5O10/c1-50-36(48)27(39-32(43)26(38)15-7-8-19-42-33(44)24-13-5-6-14-25(24)34(42)45)17-18-30-41-31-23(12-9-16-29(31)52-30)20-28(35(46)47)40-37(49)51-21-22-10-3-2-4-11-22/h2-6,9-14,16,26-28H,7-8,15,17-21,38H2,1H3,(H,39,43)(H,40,49)(H,46,47)/t26-,27-,28-/m0/s1