sodium (2R)-2-[[(2R)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: sodium (2R)-2-[[(2R)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: sodium (2R)-2-[[(2R)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: sodium (2R)-2-[[(2R)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: sodium (2R)-2-[[(2R)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: sodium (2R)-2-[[(2R)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C16H18N3NaO5 MolecularWeight: 355.32099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)C(CCC(=O)O)N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)[O-])NC(=O)[C@@H](CCC(=O)O)N.[Na+]

InChI

InChI=1S/C16H19N3O5.Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);/q;+1/p-1/t11-,13-;/m1./s1