2-[[2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-azanyl-hexanoic acid

Systemtic Name: 2-[[2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-azanyl-hexanoic acid Openeye Name: 2-[[2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-hexanoic acid CAS Name: 2-[[2-[(2-acetamido-3-mercapto-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-6-aminohexanoic acid IUPAC Name: 2-[[2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoic acid Traditional Name: 2-[[2-[(2-acetamido-3-mercapto-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-amino-hexanoic acid Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CC(=O)NC(CS)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C20H30N4O6S/c1-12(25)22-17(11-31)19(28)24-16(10-13-5-7-14(26)8-6-13)18(27)23-15(20(29)30)4-2-3-9-21/h5-8,15-17,26,31H,2-4,9-11,21H2,1H3,(H,22,25)(H,23,27)(H,24,28)(H,29,30)