bismuth (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: bismuth (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: bismuth (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: bismuth (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: bismuth (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: bismuth (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C30H51BiN9O18S3+3 MolecularWeight: 1130.95082

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N.C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N.C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N.[Bi+3]

Isomeric SMILES

C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.[Bi+3]

InChI

InChI=1S/3C10H17N3O6S.Bi/c3*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h3*5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q;;;+3/t3*5-,6-;/m000./s1