4-aminocarbonyl-5-azanyl-2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-aminocarbonyl-5-azanyl-2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-4-carbamoyl-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[[N-[bis(2-chloroethyl)amino]anilino]-oxomethoxy]-phenylmethyl]amino]-4-carbamoyl-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[[bis(2-chloroethyl)amino-phenylcarbamoyl]oxy-phenylmethyl]amino]-4-carbamoyl-5-oxopentanoic acid Traditional Name: 5-amino-2-[[[bis(2-chloroethyl)amino-phenyl-carbamoyl]oxy-phenyl-methyl]amino]-4-carbamoyl-5-keto-valeric acid Formula: C24H29Cl2N5O6 MolecularWeight: 554.42296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(CC(C(=O)N)C(=O)N)C(=O)O)OC(=O)N(C2=CC=CC=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)C(NC(CC(C(=O)N)C(=O)N)C(=O)O)OC(=O)N(C2=CC=CC=C2)N(CCCl)CCCl

InChI

InChI=1S/C24H29Cl2N5O6/c25-11-13-30(14-12-26)31(17-9-5-2-6-10-17)24(36)37-22(16-7-3-1-4-8-16)29-19(23(34)35)15-18(20(27)32)21(28)33/h1-10,18-19,22,29H,11-15H2,(H2,27,32)(H2,28,33)(H,34,35)