6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-(tyrosylamino)propanoyl]amino]hexanoic acid Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C26H33N5O5/c27-12-4-3-7-22(26(35)36)30-25(34)23(14-17-15-29-21-6-2-1-5-19(17)21)31-24(33)20(28)13-16-8-10-18(32)11-9-16/h1-2,5-6,8-11,15,20,22-23,29,32H,3-4,7,12-14,27-28H2,(H,30,34)(H,31,33)(H,35,36)