O1-phenacyl O5-(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]propanoyl]amino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]pentanedioate

Systemtic Name: O1-phenacyl O5-(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]propanoyl]amino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]pentanedioate Openeye Name: O5-benzyl O1-phenacyl (2S)-2-[[(2S)-5-benzyloxy-2-[[(2S)-2-(1-ethoxycarbonylallylamino)propanoyl]amino]-5-oxo-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-oxopropyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]amino]pentanedioic acid O1-phenacyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-5-benzoxy-2-[[(2S)-2-(1-carbethoxyallylamino)propanoyl]amino]-5-keto-pentanoyl]amino]glutaric acid O5-benzyl ester O1-phenacyl ester Formula: C41H47N3O11 MolecularWeight: 757.82538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C)NC(C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C=C)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C41H47N3O11/c1-4-32(40(50)52-5-2)42-28(3)38(48)43-33(21-23-36(46)53-25-29-15-9-6-10-16-29)39(49)44-34(22-24-37(47)54-26-30-17-11-7-12-18-30)41(51)55-27-35(45)31-19-13-8-14-20-31/h4,6-20,28,32-34,42H,1,5,21-27H2,2-3H3,(H,43,48)(H,44,49)/t28-,32?,33-,34-/m0/s1