DTXSID80860386

2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

CAS: 40055-98-9

Molecular Formula	`C20H32N6O12S2`
Molecular Weight	612.6 g/mol
LogP	-9.1
Topological Polar Surface Area	368.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	16
Rotatable Bonds	21
Exact Mass	612.152
Heavy Atoms	40
Complexity	879.0

Chemical Identifiers

CAS Number	40055-98-9
SMILES	`C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N`
InChIKey	`YPZRWBKMTBYPTK-UHFFFAOYSA-N`

📖 Product Overview

DTXSID80860386 (CAS: 40055-98-9) is a chemical compound with molecular formula C20H32N6O12S2 and molecular weight 612.6 g/mol. Its IUPAC systematic name is 2-amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid. LogP -9.1 Topological Polar Surface Area 368.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 16 Rotatable Bonds 21 Exact Mass 612.152 Heavy Atoms 40 Complexity 879.0 InChI Key: YPZRWBKMTBYPTK-UHFFFAOYSA-N. SMILES: C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N.

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