ethyl 2-[[2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoranylamino)-3-phenyl-propanoyl]phenyl]propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-[[2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoranylamino)-3-phenyl-propanoyl]phenyl]propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[2-amino-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoroamino)-3-phenyl-propanoyl]phenyl]propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoroamino)-1-oxo-3-phenylpropyl]phenyl]-1-oxopropyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-amino-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoroamino)-3-phenylpropanoyl]phenyl]propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-[3-[bis(2-chloroethyl)amino]-4-[2-(fluoroamino)-3-phenyl-propanoyl]phenyl]propanoyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C29H39Cl2FN4O4S MolecularWeight: 629.613763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC(=C(C=C1)C(=O)C(CC2=CC=CC=C2)NF)N(CCCl)CCCl)N

Isomeric SMILES

CCOC(=O)C(CCSC)NC(=O)C(CC1=CC(=C(C=C1)C(=O)C(CC2=CC=CC=C2)NF)N(CCCl)CCCl)N

InChI

InChI=1S/C29H39Cl2FN4O4S/c1-3-40-29(39)24(11-16-41-2)34-28(38)23(33)17-21-9-10-22(26(19-21)36(14-12-30)15-13-31)27(37)25(35-32)18-20-7-5-4-6-8-20/h4-10,19,23-25,35H,3,11-18,33H2,1-2H3,(H,34,38)