tert-butyl N-[(2S)-6-[[(2S,3S)-5-[[(2S,3S)-1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3,6-bis(oxidanylidene)-1-phenyl-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-6-[[(2S,3S)-5-[[(2S,3S)-1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3,6-bis(oxidanylidene)-1-phenyl-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-5-[[(1S,2S)-4-[[(1S,2S)-1-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-oxo-butyl]amino]-1-benzyl-2,5-dioxo-pentyl]carbamate CAS Name: N-[(2S)-6-[[(2S,3S)-5-[[(2S,3S)-1-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3,6-dioxo-1-phenylhexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-6-[[(2S,3S)-5-[[(2S,3S)-1-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3,6-dioxo-1-phenylhexan-2-yl]carbamate Traditional Name: N-[(1S)-5-[[(1S,2S)-4-[[(1S,2S)-1-[(4-amino-2-methyl-pyrimidin-5-yl)methylcarbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-keto-butyl]amino]-1-benzyl-2,5-diketo-pentyl]carbamic acid tert-butyl ester Formula: C40H61N7O7 MolecularWeight: 751.95504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CN=C(N=C1N)C)NC(=O)CC(C(CC2CCCCC2)NC(=O)CCC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CN=C(N=C1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C40H61N7O7/c1-7-25(2)36(38(52)43-24-29-23-42-26(3)44-37(29)41)47-35(51)22-33(49)31(21-28-16-12-9-13-17-28)45-34(50)19-18-32(48)30(20-27-14-10-8-11-15-27)46-39(53)54-40(4,5)6/h8,10-11,14-15,23,25,28,30-31,33,36,49H,7,9,12-13,16-22,24H2,1-6H3,(H,43,52)(H,45,50)(H,46,53)(H,47,51)(H2,41,42,44)/t25-,30-,31-,33-,36-/m0/s1