tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-5-methyl-3-oxidanyl-6-oxidanylidene-6-(pyridin-4-ylmethylamino)hexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-5-methyl-3-oxidanyl-6-oxidanylidene-6-(pyridin-4-ylmethylamino)hexan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-1-[[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-4-methyl-5-oxo-5-(4-pyridylmethylamino)pentyl]carbamoyl]butyl]amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-oxo-6-(pyridin-4-ylmethylamino)hexan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-oxo-6-(pyridin-4-ylmethylamino)hexan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-[[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-5-keto-4-methyl-5-(4-pyridylmethylamino)pentyl]carbamoyl]butyl]amino]-2-keto-1-p-anisyl-ethyl]carbamic acid tert-butyl ester Formula: C39H59N5O7 MolecularWeight: 709.91506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C(CC(C)C(=O)NCC2=CC=NC=C2)O)NC(=O)C(CC3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C)C(=O)NCC2=CC=NC=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C39H59N5O7/c1-7-11-31(42-37(48)33(44-38(49)51-39(3,4)5)24-28-14-16-30(50-6)17-15-28)36(47)43-32(23-27-12-9-8-10-13-27)34(45)22-26(2)35(46)41-25-29-18-20-40-21-19-29/h14-21,26-27,31-34,45H,7-13,22-25H2,1-6H3,(H,41,46)(H,42,48)(H,43,47)(H,44,49)/t26-,31+,32+,33+,34+/m1/s1