dicalcium 2-[2-[(4-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl)amino]-3-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]sulfanylbutanedioate

Systemtic Name: dicalcium 2-[2-[(4-azanyl-5-oxidanidyl-5-oxidanylidene-pentanoyl)amino]-3-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-oxidanylidene-propyl]sulfanylbutanedioate Openeye Name: dicalcium 2-[2-[(4-amino-5-oxido-5-oxo-pentanoyl)amino]-3-[(2-oxido-2-oxo-ethyl)amino]-3-oxo-propyl]sulfanylbutanedioate CAS Name: dicalcium 2-[[2-[(4-amino-5-oxido-1,5-dioxopentyl)amino]-3-[(2-oxido-2-oxoethyl)amino]-3-oxopropyl]thio]butanedioate IUPAC Name: dicalcium 2-[2-[(4-amino-5-oxido-5-oxopentanoyl)amino]-3-[(2-oxido-2-oxoethyl)amino]-3-oxopropyl]sulfanylbutanedioate Traditional Name: dicalcium 2-[[2-[(4-amino-5-keto-5-oxido-pentanoyl)amino]-3-keto-3-[(2-keto-2-oxido-ethyl)amino]propyl]thio]succinate Formula: C14H17Ca2N3O10S MolecularWeight: 499.51988

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CSC(CC(=O)[O-])C(=O)[O-])C(=O)NCC(=O)[O-])C(C(=O)[O-])N.[Ca+2].[Ca+2]

Isomeric SMILES

C(CC(=O)NC(CSC(CC(=O)[O-])C(=O)[O-])C(=O)NCC(=O)[O-])C(C(=O)[O-])N.[Ca+2].[Ca+2]

InChI

InChI=1S/C14H21N3O10S.2Ca/c15-6(13(24)25)1-2-9(18)17-7(12(23)16-4-11(21)22)5-28-8(14(26)27)3-10(19)20;;/h6-8H,1-5,15H2,(H,16,23)(H,17,18)(H,19,20)(H,21,22)(H,24,25)(H,26,27);;/q;2*+2/p-4