[4-[bis(2-chloroethyl)amino]phenyl] (2S)-2-azanyl-5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] (2S)-2-azanyl-5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] (2S)-2-amino-5-anilino-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-anilino-5-oxopentanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] (2S)-2-amino-5-anilino-5-oxopentanoate Traditional Name: (2S)-2-amino-5-anilino-5-keto-valeric acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC[C@@H](C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)N

InChI

InChI=1S/C21H25Cl2N3O3/c22-12-14-26(15-13-23)17-6-8-18(9-7-17)29-21(28)19(24)10-11-20(27)25-16-4-2-1-3-5-16/h1-9,19H,10-15,24H2,(H,25,27)/t19-/m0/s1