tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-[2-[[4-[bis(2-chloroethyl)amino]phenyl]amino]ethanoylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-[2-[[4-[bis(2-chloroethyl)amino]phenyl]amino]ethanoylcarbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[(2S)-2-[[(1S)-1-[[2-[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[(2S)-2-[[[(2S)-1-[[2-[(2S)-2-[[[2-[4-[bis(2-chloroethyl)amino]anilino]-1-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[(2S)-2-[[(1S)-1-[[2-[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]anilino]acetyl]carbamoyl]pyrrolidino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C38H58Cl2N8O8 MolecularWeight: 825.82192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(=O)CNC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)C3CCCN3C(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC(=O)CNC3=CC=C(C=C3)N(CCCl)CCCl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H58Cl2N8O8/c1-24(2)21-28(44-34(52)30-10-8-18-48(30)36(54)25(3)43-37(55)56-38(4,5)6)33(51)42-23-32(50)47-17-7-9-29(47)35(53)45-31(49)22-41-26-11-13-27(14-12-26)46(19-15-39)20-16-40/h11-14,24-25,28-30,41H,7-10,15-23H2,1-6H3,(H,42,51)(H,43,55)(H,44,52)(H,45,49,53)/t25-,28+,29+,30+/m1/s1