(phenylmethyl) N-[(5S)-6-[[(2S)-1-[2-(2-chloranylethanoyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[(5S)-6-[[(2S)-1-[2-(2-chloranylethanoyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-5-(benzyloxycarbonylamino)-1-[[(1S)-1-[[(2-chloroacetyl)-[(4-hydroxyphenyl)methyl]amino]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(5S)-6-[[(2S)-1-[2-(2-chloro-1-oxoethyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-6-oxohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5S)-6-[[(2S)-1-[2-(2-chloroacetyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-oxohexyl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-5-(benzyloxycarbonylamino)-1-[[(1S)-1-[[(2-chloroacetyl)-(4-hydroxybenzyl)amino]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C39H57ClN6O9 MolecularWeight: 789.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NN(CC1=CC=C(C=C1)O)C(=O)CCl)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NN(CC1=CC=C(C=C1)O)C(=O)CCl)NC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H57ClN6O9/c1-25(2)21-31(35(50)45-46(32(48)22-40)23-27-16-18-29(47)19-17-27)43-34(49)30(42-36(51)33(26(3)4)44-38(53)55-39(5,6)7)15-11-12-20-41-37(52)54-24-28-13-9-8-10-14-28/h8-10,13-14,16-19,25-26,30-31,33,47H,11-12,15,20-24H2,1-7H3,(H,41,52)(H,42,51)(H,43,49)(H,44,53)(H,45,50)/t30-,31-,33-/m0/s1