(phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) 5-[bis(azanyl)methylideneamino]-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(diaminomethylideneamino)-2-[[3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-valeric acid benzyl ester Formula: C30H35N5O6 MolecularWeight: 561.6288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H35N5O6/c31-29(32)33-17-7-12-25(28(38)40-19-22-8-3-1-4-9-22)34-27(37)26(18-21-13-15-24(36)16-14-21)35-30(39)41-20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,36H,7,12,17-20H2,(H,34,37)(H,35,39)(H4,31,32,33)