methyl (2S)-2-[[(2S)-2-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate hydrochloride

Systemtic Name: methyl (2S)-2-[[(2S)-2-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate hydrochloride Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoate hydrochloride CAS Name: (2S)-2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate hydrochloride Traditional Name: (2S)-2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-valeric acid methyl ester hydrochloride Formula: C25H36Cl3N5O4 MolecularWeight: 576.94344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CN=CN1)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl.Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl.Cl

InChI

InChI=1S/C25H35Cl2N5O4.ClH/c1-17(2)12-22(25(35)36-3)31-24(34)21(14-19-15-28-16-29-19)30-23(33)13-18-4-6-20(7-5-18)32(10-8-26)11-9-27;/h4-7,15-17,21-22H,8-14H2,1-3H3,(H,28,29)(H,30,33)(H,31,34);1H/t21-,22-;/m0./s1