(2S)-2-[[(2S)-5-(aminocarbonylamino)-2-azaniumyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-5-(aminocarbonylamino)-2-azaniumyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-5-ureido-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-5-(carbamoylamino)-1-oxopentyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-5-(carbamoylamino)pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-5-ureido-pentanoyl]amino]-3-phenyl-propionate Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CCCNC(=O)N)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CCCNC(=O)N)[NH3+]

InChI

InChI=1S/C15H22N4O4/c16-11(7-4-8-18-15(17)23)13(20)19-12(14(21)22)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,19,20)(H,21,22)(H3,17,18,23)/t11-,12-/m0/s1