tert-butyl N-[(2R)-1-azanyl-3-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-(butylamino)-3-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-azanyl-3-[[2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-(butylamino)-3-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-[amino(butylamino)methyl]-2-[[2-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-amino-1-(butylamino)-3-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(2-thiazolyl)pentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-amino-1-(butylamino)-3-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-1-[amino(butylamino)methyl]-2-[[2-[[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C23H41N9O5S MolecularWeight: 555.69394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C1=NC=CS1)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCNC([C@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC=CS1)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C23H41N9O5S/c1-5-6-9-27-18(24)16(32-22(36)37-23(2,3)4)19(35)30-13-15(33)31-14(8-7-10-29-21(25)26)17(34)20-28-11-12-38-20/h11-12,14,16,18,27H,5-10,13,24H2,1-4H3,(H,30,35)(H,31,33)(H,32,36)(H4,25,26,29)/t14-,16+,18?/m0/s1