(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate

Systemtic Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-[bis(azanyl)methylideneazaniumyl]pentanoate Openeye Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-(diaminomethyleneammonio)pentanoate CAS Name: (2S)-2-[[(2S)-2-benzamido-1-oxopropyl]amino]-5-(diaminomethylideneammonio)pentanoate IUPAC Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-5-(diaminomethyleneammonio)valerate Formula: C16H23N5O4 MolecularWeight: 349.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])NC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H23N5O4/c1-10(20-14(23)11-6-3-2-4-7-11)13(22)21-12(15(24)25)8-5-9-19-16(17)18/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/t10-,12-/m0/s1