tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[(4-hydroxyphenyl)methyl]-2-(2-iodanylethanoyl)hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[(4-hydroxyphenyl)methyl]-2-(2-iodanylethanoyl)hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(4-hydroxyphenyl)methyl-(2-iodoacetyl)amino]carbamoyl]-3-methyl-butyl]carbamoyl]-5-(p-tolylsulfonylamino)pentyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[(4-hydroxyphenyl)methyl]-2-(2-iodo-1-oxoethyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[(4-hydroxyphenyl)methyl]-2-(2-iodoacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-[[(1S)-1-[[(4-hydroxybenzyl)-(2-iodoacetyl)amino]carbamoyl]-3-methyl-butyl]carbamoyl]-5-(tosylamino)pentyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C38H57IN6O9S MolecularWeight: 900.86345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)NC(CC(C)C)C(=O)NN(CC2=CC=C(C=C2)O)C(=O)CI)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NN(CC2=CC=C(C=C2)O)C(=O)CI)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C38H57IN6O9S/c1-24(2)21-31(35(49)44-45(32(47)22-39)23-27-14-16-28(46)17-15-27)42-34(48)30(41-36(50)33(25(3)4)43-37(51)54-38(6,7)8)11-9-10-20-40-55(52,53)29-18-12-26(5)13-19-29/h12-19,24-25,30-31,33,40,46H,9-11,20-23H2,1-8H3,(H,41,50)(H,42,48)(H,43,51)(H,44,49)/t30-,31-,33-/m0/s1