tert-butyl 2-[[(E)-4-(butylamino)-4-oxidanylidene-but-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(E)-4-(butylamino)-4-oxidanylidene-but-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]ethanoate Openeye Name: tert-butyl 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-4-(butylamino)-4-oxo-but-2-enoyl]amino]acetate CAS Name: 2-[[(E)-4-(butylamino)-1,4-dioxobut-2-enyl]-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(E)-4-(butylamino)-4-oxobut-2-enoyl]-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]amino]acetate Traditional Name: 2-[[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-[(E)-4-(butylamino)-4-keto-but-2-enoyl]amino]acetic acid tert-butyl ester Formula: C27H40N4O7 MolecularWeight: 532.6291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O7/c1-7-8-16-28-21(32)14-15-22(33)31(17-23(34)38-27(4,5)6)30-25(35)24(19(2)3)29-26(36)37-18-20-12-10-9-11-13-20/h9-15,19,24H,7-8,16-18H2,1-6H3,(H,28,32)(H,29,36)(H,30,35)/b15-14+/t24-/m0/s1