(2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2R)-1-[2-(4-methylpentan-2-ylamino)ethanoylamino]-1-oxidanylidene-propan-2-yl]propanamide

Systemtic Name: (2S)-2-azanyl-3-(4-hydroxyphenyl)-N-[(2R)-1-[2-(4-methylpentan-2-ylamino)ethanoylamino]-1-oxidanylidene-propan-2-yl]propanamide Openeye Name: (2S)-2-amino-N-[(1R)-2-[[2-(1,3-dimethylbutylamino)acetyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)-1-oxoethyl]amino]-1-oxopropan-2-yl]propanamide IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-[[2-(4-methylpentan-2-ylamino)acetyl]amino]-1-oxopropan-2-yl]propanamide Traditional Name: (2S)-2-amino-N-[(1R)-2-[[2-(1,3-dimethylbutylamino)acetyl]amino]-2-keto-1-methyl-ethyl]-3-(4-hydroxyphenyl)propionamide Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NCC(=O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

C[C@H](C(=O)NC(=O)CNC(C)CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C20H32N4O4/c1-12(2)9-13(3)22-11-18(26)24-19(27)14(4)23-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,22,25H,9-11,21H2,1-4H3,(H,23,28)(H,24,26,27)/t13?,14-,17+/m1/s1