2-[[(5S)-5,9-bis(azanyl)-2-methyl-4-oxidanylidene-nonanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(5S)-5,9-bis(azanyl)-2-methyl-4-oxidanylidene-nonanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(5S)-5,9-diamino-2-methyl-4-oxo-nonanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(5S)-5,9-diamino-2-methyl-1,4-dioxononyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(5S)-5,9-diamino-2-methyl-4-oxononanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(5S)-5,9-diamino-4-keto-2-methyl-nonanoyl]amino]-3-phenyl-propionic acid Formula: C19H29N3O4 MolecularWeight: 363.45126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-13(11-17(23)15(21)9-5-6-10-20)18(24)22-16(19(25)26)12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,20-21H2,1H3,(H,22,24)(H,25,26)/t13?,15-,16?/m0/s1