94-14-4 Purity
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Specification
The molecular formula of H-Lys-ala-amc is C20H26N4O5.
The molecular weight of H-Lys-ala-amc is 402.4 g/mol.
The IUPAC name of H-Lys-ala-amc is N-[(2S)-2-aminopropanoyl]-7-[(2S)-2,6-diaminohexanoyl]-4-methyl-2-oxochromene-3-carboxamide.
The InChI of H-Lys-ala-amc is InChI=1S/C20H26N4O5/c1-10-13-7-6-12(17(25)14(23)5-3-4-8-21)9-15(13)29-20(28)16(10)19(27)24-18(26)11(2)22/h6-7,9,11,14H,3-5,8,21-23H2,1-2H3,(H,24,26,27)/t11-,14-/m0/s1.
The InChIKey of H-Lys-ala-amc is IKXUSBDSPVWTIY-FZMZJTMJSA-N.
The canonical SMILES of H-Lys-ala-amc is CC1=C(C(=O)OC2=C1C=CC(=C2)C(=O)C(CCCCN)N)C(=O)NC(=O)C(C)N.
The isomeric SMILES of H-Lys-ala-amc is CC1=C(C(=O)OC2=C1C=CC(=C2)C(=O)[C@H](CCCCN)N)C(=O)NC(=O)[C@H](C)N.
The XLogP3-AA value of H-Lys-ala-amc is 0.1.
H-Lys-ala-amc has 4 hydrogen bond donor counts.
H-Lys-ala-amc has 8 hydrogen bond acceptor counts.