Elastatinal C

AlkaPlorer ID: AK297356

Synonym: None

IUPAC Name: 2-[[2-[[5-amino-1-[[1-(oxiran-2-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid

Structure

SMILES: CC(C)CC(NC(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)C1CO1)C1CCNC(=N)N1)C(=O)O

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InChI: InChI=1S/C23H38N8O8/c1-10(2)8-14(21(36)37)30-23(38)31-17(12-6-7-26-22(25)29-12)20(35)28-13(4-5-16(24)32)19(34)27-11(3)18(33)15-9-39-15/h10-15,17H,4-9H2,1-3H3,(H2,24,32)(H,27,34)(H,28,35)(H,36,37)(H3,25,26,29)(H2,30,31,38)

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InChIKey: JTCXSKFLEAWQNJ-UHFFFAOYSA-N

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Reference

PubChem CID: 9941582

CAS: 162232-37-3

Properties Information

Molecule Weight: 554.6050000000004

TPSA: 257.23

MolLogP: -2.737329999999996

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information