methyl 4-azanyl-5-[[1-(hexylamino)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 4-azanyl-5-[[1-(hexylamino)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 4-amino-5-[[5-(benzyloxycarbonylamino)-1-(hexylcarbamoyl)pentyl]amino]-5-oxo-pentanoate CAS Name: 4-amino-5-[[1-(hexylamino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-amino-5-[[1-(hexylamino)-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-5-oxopentanoate Traditional Name: 4-amino-5-[[5-(benzyloxycarbonylamino)-1-(hexylcarbamoyl)pentyl]amino]-5-keto-valeric acid methyl ester Formula: C26H42N4O6 MolecularWeight: 506.63488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O6/c1-3-4-5-10-17-28-25(33)22(30-24(32)21(27)15-16-23(31)35-2)14-9-11-18-29-26(34)36-19-20-12-7-6-8-13-20/h6-8,12-13,21-22H,3-5,9-11,14-19,27H2,1-2H3,(H,28,33)(H,29,34)(H,30,32)