Also known as: 1401708-83-5, L-isoleucinamide, n-(1-oxohexyl)-l-tyrosyl-n-(6-amino-6-oxohexyl)-, 9wyx65a5c2, N-hexanoic-tyr-ile-(6) aminohexanoic amide, Pnb-0408, 6-(2-(2-hexanamido-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)hexanamide Molecular Formula C 27 H 44 N 4 O 5 Molecular Weight 504.7 g/mol InChI Key XEUVNVNAVKZSPT-JTJYXVOQSA-N 1 2D Structure 2 Identification 2.1 Computed Descriptors 2.1.1 IUPAC Name (2S,3S)-N-(6-amino-6-oxohexyl)-2-[[(2S)-2-(hexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide 2.1.2 InChI InChI=1S/C27H44N4O5/c1-4-6-8-12-24(34)30-22(18-20-13-15-21(32)16-14-20)26(35)31-25(19(3)5-2)27(36)29-17-10-7-9-11-23(28)33/h13-16,19,22,25,32H,4-12,17-18H2,1-3H3,(H2,28,33)(H,29,36)(H,30,34)(H,31,35)/t19-,22-,25-/m0/s1 2.1.3 InChI Key XEUVNVNAVKZSPT-JTJYXVOQSA-N 2.1.4 Canonical SMILES CCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)CC)C(=O)NCCCCCC(=O)N 2.1.5 Isomeric SMILES CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(=O)N 2.2 Other Identifiers 2.2.1 UNII 2.3 Synonyms 2.3.1 MeSH Synonyms 1
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