1-[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoylamino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoylamino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoylamino]acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoylamino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: 1-[3-phenyl-2-[[2-[2-(tyrosylamino)hexanoylamino]acetyl]amino]propanoyl]pyrrolidine-2-carboxamide Formula: C31H42N6O6 MolecularWeight: 594.70178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CCCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C31H42N6O6/c1-2-3-10-24(36-29(41)23(32)17-21-12-14-22(38)15-13-21)30(42)34-19-27(39)35-25(18-20-8-5-4-6-9-20)31(43)37-16-7-11-26(37)28(33)40/h4-6,8-9,12-15,23-26,38H,2-3,7,10-11,16-19,32H2,1H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)