(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2R)-4-oxidanyl-1-phenyl-butan-2-yl]butanamide

Systemtic Name: (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2R)-4-oxidanyl-1-phenyl-butan-2-yl]butanamide Openeye Name: (2S)-N-[(1R)-1-benzyl-3-hydroxy-propyl]-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-butanamide CAS Name: (2S)-N-[(2R)-4-hydroxy-1-phenylbutan-2-yl]-2-[[(2R)-3-(4-hydroxyphenyl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]-3-methylbutanamide IUPAC Name: (2S)-N-[(2R)-4-hydroxy-1-phenylbutan-2-yl]-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methylbutanamide Traditional Name: (2S)-N-[(1R)-1-benzyl-3-hydroxy-propyl]-2-[[(2R)-3-(4-hydroxyphenyl)-2-(isovalerylamino)propanoyl]amino]-3-methyl-butyramide Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCO)CC2=CC=CC=C2

InChI

InChI=1S/C29H41N3O5/c1-19(2)16-26(35)31-25(18-22-10-12-24(34)13-11-22)28(36)32-27(20(3)4)29(37)30-23(14-15-33)17-21-8-6-5-7-9-21/h5-13,19-20,23,25,27,33-34H,14-18H2,1-4H3,(H,30,37)(H,31,35)(H,32,36)/t23-,25+,27-/m0/s1