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(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(1H-indol-3-ylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(1H-indol-3-ylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name:(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(1H-indol-3-ylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid
Openeye Name:(2S)-2-amino-5-[[(2R)-2-amino-3-(1H-indol-3-ylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
CAS Name:(2S)-2-amino-5-[[(2R)-2-amino-3-(1H-indol-3-ylmethylthio)-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
IUPAC Name:(2S)-2-amino-5-[[(2R)-2-amino-3-(1H-indol-3-ylmethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Traditional Name:(2S)-2-amino-5-[[(2R)-2-amino-3-(1H-indol-3-ylmethylthio)propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid
Formula: C19H24N4O6S
MolecularWeight: 436.48206
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CSCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CSC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N


InChI

InChI=1S/C19H24N4O6S/c20-13(19(28)29)5-6-16(24)23(8-17(25)26)18(27)14(21)10-30-9-11-7-22-15-4-2-1-3-12(11)15/h1-4,7,13-14,22H,5-6,8-10,20-21H2,(H,25,26)(H,28,29)/t13-,14-/m0/s1


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