tert-butyl N-[(2S)-1-[[(2S)-1-[[(2R,3S)-5-[[6-(2-hydroxyethylamino)-6-oxidanylidene-hexyl]amino]-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2R,3S)-5-[[6-(2-hydroxyethylamino)-6-oxidanylidene-hexyl]amino]-3-oxidanyl-5-oxidanylidene-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-benzyl-2-[[(1R,2S)-1-benzyl-2-hydroxy-4-[[6-(2-hydroxyethylamino)-6-oxo-hexyl]amino]-4-oxo-butyl]amino]-2-oxo-ethyl]-methyl-amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2R,3S)-3-hydroxy-5-[[6-(2-hydroxyethylamino)-6-oxohexyl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2R,3S)-3-hydroxy-5-[[6-(2-hydroxyethylamino)-6-oxohexyl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-benzyl-2-[[(1R,2S)-1-benzyl-2-hydroxy-4-[[6-(2-hydroxyethylamino)-6-keto-hexyl]amino]-4-keto-butyl]amino]-2-keto-ethyl]-methyl-amino]-2-keto-1-p-anisyl-ethyl]carbamic acid tert-butyl ester Formula: C44H61N5O9 MolecularWeight: 803.98324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(CC(=O)NCCCCCC(=O)NCCO)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CC3=CC=CC=C3)[C@H](CC(=O)NCCCCCC(=O)NCCO)O

InChI

InChI=1S/C44H61N5O9/c1-44(2,3)58-43(56)48-36(28-33-20-22-34(57-5)23-21-33)42(55)49(4)37(29-32-17-11-7-12-18-32)41(54)47-35(27-31-15-9-6-10-16-31)38(51)30-40(53)45-24-14-8-13-19-39(52)46-25-26-50/h6-7,9-12,15-18,20-23,35-38,50-51H,8,13-14,19,24-30H2,1-5H3,(H,45,53)(H,46,52)(H,47,54)(H,48,56)/t35-,36+,37+,38+/m1/s1