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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[3-(1H-indol-3-yl)-2-(tyrosylamino)propanoyl]amino]-3-methyl-valeric acid Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C26H32N4O5/c1-3-15(2)23(26(34)35)30-25(33)22(13-17-14-28-21-7-5-4-6-19(17)21)29-24(32)20(27)12-16-8-10-18(31)11-9-16/h4-11,14-15,20,22-23,28,31H,3,12-13,27H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)