ethyl (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propionic acid ethyl ester Formula: C21H33Cl2N3O3 MolecularWeight: 446.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C21H33Cl2N3O3/c1-4-29-21(28)19(25-20(27)18(24)13-15(2)3)14-16-5-7-17(8-6-16)26(11-9-22)12-10-23/h5-8,15,18-19H,4,9-14,24H2,1-3H3,(H,25,27)/t18-,19-/m0/s1