(3S)-3-[[(2S)-2-azanylhexanoyl]amino]-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-azanylhexanoyl]amino]-4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-3-[[(2S)-2-aminohexanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-amino-1-oxohexyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-aminohexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-3-[[(2S)-2-aminohexanoyl]amino]-4-keto-butyric acid Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5/c1-2-3-9-13(20)18(27)23-15(11-16(24)25)19(28)22-14(17(21)26)10-12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11,20H2,1H3,(H2,21,26)(H,22,28)(H,23,27)(H,24,25)/t13-,14-,15-/m0/s1