tert-butyl N-[(2S)-3-[2-(1-adamantyl)-1H-imidazol-5-yl]-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-[2-(1-adamantyl)-1H-imidazol-5-yl]-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[2-(1-adamantyl)-1H-imidazol-5-yl]methyl]-2-[[(1S)-1-(benzylcarbamoyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-[2-(1-adamantyl)-1H-imidazol-5-yl]-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[(phenylmethyl)amino]pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-[2-(1-adamantyl)-1H-imidazol-5-yl]-1-[[(2S)-1-(benzylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[2-(1-adamantyl)-1H-imidazol-5-yl]methyl]-2-[[(1S)-1-(benzylcarbamoyl)-4-guanidino-butyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C34H50N8O4 MolecularWeight: 634.812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=C(N1)C23CC4CC(C2)CC(C4)C3)C(=O)NC(CCCN=C(N)N)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=C(N1)C23CC4CC(C2)CC(C4)C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C34H50N8O4/c1-33(2,3)46-32(45)42-27(15-25-20-39-30(40-25)34-16-22-12-23(17-34)14-24(13-22)18-34)29(44)41-26(10-7-11-37-31(35)36)28(43)38-19-21-8-5-4-6-9-21/h4-6,8-9,20,22-24,26-27H,7,10-19H2,1-3H3,(H,38,43)(H,39,40)(H,41,44)(H,42,45)(H4,35,36,37)/t22?,23?,24?,26-,27-,34?/m0/s1