N-carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-(N'-(2-((3,7,12-trihydroxycholan-24-oyl)amino)ethyl)(thioureido)phenyl)alanine

Modify Date: 2025-09-22 19:06:47

N-carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-(N'-(2-((3,7,12-trihydroxycholan-24-oyl)amino)ethyl)(thioureido)phenyl)alanine structure	Common Name	N-carboxymethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-3-(4-(N'-(2-((3,7,12-trihydroxycholan-24-oyl)amino)ethyl)(thioureido)phenyl)alanine
	CAS Number	132910-41-9	Molecular Weight	963.01600
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₄H₆₉Cl₂N₅O₁₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(2S)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-[4-[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylcarbamothi
Synonym	More Synonyms

Molecular Formula	C₄₄H₆₉Cl₂N₅O₁₂S
Molecular Weight	963.01600
Exact Mass	961.40400
PSA	312.15000
LogP	5.24900
InChIKey	AXZSESFQAWXJCB-KANJYBDXSA-N
SMILES	CC(CCC(=O)NCCNC(=S)Nc1ccc(CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.Cl.Cl

Cbatpaa

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