2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[(1S)-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[(1S)-2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-1-(1-naphthylmethyl)ethyl]amino]propionic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC3=CC=CC=C32)NC(C)C(=O)O

InChI

InChI=1S/C28H33N3O4/c1-18(2)16-24(26(32)30-22-13-5-4-6-14-22)31-27(33)25(29-19(3)28(34)35)17-21-12-9-11-20-10-7-8-15-23(20)21/h4-15,18-19,24-25,29H,16-17H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t19?,24-,25-/m0/s1