methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate,hexahydrochloride

Modify Date: 2025-09-19 20:23:37

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate,hexahydrochloride Structure
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate,hexahydrochloride structure
Common Name methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate,hexahydrochloride
CAS Number 102516-63-2 Molecular Weight 963.52100
Density N/A Boiling Point N/A
Molecular Formula C32H61Cl8N11O5 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate,hexahydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C32H61Cl8N11O5
Molecular Weight 963.52100
Exact Mass 959.23700
PSA 271.66000
LogP 9.25140
InChIKey JTLANPCWNHLDCD-BOOUUOBTSA-N
SMILES CCCCC(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)OC.Cl.Cl.Cl.Cl.Cl.Cl

 Synonyms

Alanine,3-(p-(bis(2-chloroethyl)amino)phenyl)-N-(L-arginyl-L-arginyl-L-norleucyl)-,methyl ester,hexahydrochloride
Methyl ester of L-arginyl-L-arginyl-L-norleucylsarcolysine hexahydrochloride
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