(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2,3-bis(oxidanyl)phenyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-2,3-dihydroxy-phenyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-2,3-dihydroxyphenyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-2,3-dihydroxy-phenyl]thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C19H26N4O10S MolecularWeight: 502.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)SCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1O)O)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)C[C@@H](C(=O)O)N

InChI

InChI=1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23(6-15(26)27)17(29)11(22)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-22H2,(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11-/m0/s1