5-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(2S)-1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[(2S)-1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[(1S)-2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCN)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCN)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H27N3O4/c19-11-4-5-12-20-18(25)15(13-14-7-2-1-3-8-14)21-16(22)9-6-10-17(23)24/h1-3,7-8,15H,4-6,9-13,19H2,(H,20,25)(H,21,22)(H,23,24)/t15-/m0/s1