sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-(3H-imidazol-4-yl)propanoate

Molecular Formula: C18H21Cl2N4NaO3


InChI: InChI=1/C18H22Cl2N4O3.Na/c1-12-2-3-13(8-16(12)24(6-4-19)7-5-20)17(25)23-15(18(26)27)9-14-10-21-11-22-14;/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,21,22)(H,23,25)(H,26,27);/q;+1/p-1/t15-;/m0./s1/fC18H21Cl2N4O3.Na/h22-23H;/q-1;m

InChIKey: InChIKey=SZNLWRISMNDPSR-XNECTVKXDD
SMILES: CC1=C(C=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)[O-])N(CCCl)CCCl.[Na+]

Names:
    L-HISTIDINE, N-(3-BIS(2-CHLOROETHYL)AMINO-4-METHYLBENZOYL)-, SODIUM SALT
    N(sup alpha)-(3-(Di-(2-chloroethyl)amino)-4-methylbenzoyl)-L-histidine sodium salt
    Sodium salt of N(sup alpha)-(3-di-(2-chloroethyl)amino-4-methylbenzoyl)-L-histidine
    sodium (2S)-2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-(3H-imidazol-4-yl)propanoate
    63765-95-7

Registries:
    PubChem CID 44697
    PubChem ID 184844