(phenylmethyl) 2-[[2-[[5-azanyl-2-[2-[(4-methoxyphenyl)methoxycarbonylamino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[[5-azanyl-2-[2-[(4-methoxyphenyl)methoxycarbonylamino]propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-[[5-amino-2-[2-[(4-methoxyphenyl)methoxycarbonylamino]propanoylamino]-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetate CAS Name: 2-[[2-[[5-amino-2-[[2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[5-amino-2-[2-[(4-methoxyphenyl)methoxycarbonylamino]propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetate Traditional Name: 2-[[2-[[5-amino-5-keto-2-[2-(p-anisyloxycarbonylamino)propanoylamino]pentanoyl]amino]-3-hydroxy-propanoyl]amino]acetic acid benzyl ester Formula: C29H37N5O10 MolecularWeight: 615.63158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C29H37N5O10/c1-18(32-29(41)44-17-20-8-10-21(42-2)11-9-20)26(38)33-22(12-13-24(30)36)28(40)34-23(15-35)27(39)31-14-25(37)43-16-19-6-4-3-5-7-19/h3-11,18,22-23,35H,12-17H2,1-2H3,(H2,30,36)(H,31,39)(H,32,41)(H,33,38)(H,34,40)