(2S)-2-[[(2S)-2-azanyl-4-cyclohexyloxy-4-oxidanylidene-butanoyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-cyclohexyloxy-4-oxidanylidene-butanoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-4-(cyclohexoxy)-4-oxo-butanoyl]amino]-3-benzyloxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-4-cyclohexyloxy-1,4-dioxobutyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-4-cyclohexyloxy-4-oxobutanoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-4-(cyclohexoxy)-4-keto-butanoyl]amino]-3-benzoxy-propionic acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC(C(=O)NC(COCC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)OC(=O)C[C@@H](C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C20H28N2O6/c21-16(11-18(23)28-15-9-5-2-6-10-15)19(24)22-17(20(25)26)13-27-12-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13,21H2,(H,22,24)(H,25,26)/t16-,17-/m0/s1