Analyte Name

Elastatinal

CAS Number

51798-45-9

Molecular Formula

C21 H36 N8 O7

Molecular Weight

512.56

Accurate Mass

512.271

SMILES

CC(C)C[C@H](NC(=O)N[C@@H]([C@@H]1CCN=C(N)N1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C=O)C(=O)O

InChI

InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1

IUPAC

(2S)-2-[[(1S)-2-[[(2S)-5-amino-1,5-dioxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-[(6S)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat