methyl 2-[[2-[[1-[2-(2-azanylethanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-[[2-[[1-[2-(2-azanylethanoylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-[[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[[[1-[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-[[1-[2-(glycylamino)propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C26H39N5O7 MolecularWeight: 533.61716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CN

InChI

InChI=1S/C26H39N5O7/c1-15(2)12-19(23(34)30-20(26(37)38-4)13-17-7-9-18(32)10-8-17)29-24(35)21-6-5-11-31(21)25(36)16(3)28-22(33)14-27/h7-10,15-16,19-21,32H,5-6,11-14,27H2,1-4H3,(H,28,33)(H,29,35)(H,30,34)