O4-tert-butyl O1-(phenylmethyl) (2S)-2-[(3S)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pentyl]butanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) (2S)-2-[(3S)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-pentyl]butanedioate Openeye Name: O1-benzyl O4-tert-butyl (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-4,4-dimethyl-2-oxo-pentyl]butanedioate CAS Name: (2S)-2-[(3S)-4,4-dimethyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxopentyl]butanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl (2S)-2-[(3S)-4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentyl]butanedioate Traditional Name: (2S)-2-[(3S)-3-(tert-butoxycarbonylamino)-2-keto-4,4-dimethyl-pentyl]succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C27H41NO7 MolecularWeight: 491.61694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)CC(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)C[C@@H](CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H41NO7/c1-25(2,3)22(28-24(32)35-27(7,8)9)20(29)15-19(16-21(30)34-26(4,5)6)23(31)33-17-18-13-11-10-12-14-18/h10-14,19,22H,15-17H2,1-9H3,(H,28,32)/t19-,22+/m0/s1