tert-Butyloxycarbonyl-valyl-leucyl-glycyl-arginine-3-amino-9-ethylcarbazole

tert-butyl N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(9-ethylcarbazol-3-yl)amino]pentanoyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Also Known As: Bvlgaa|Boc-val-leu-gly-arg-aec|tert-butyl N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(9-ethylcarbazol-3-yl)amino]pentanoyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate|tert-Butyloxycarbonyl-valyl-leucyl-glycyl-arginine-3-amino-9-ethylcarbazole|L-Argininamide, N-((1,1-dimethylethoxy)carbonyl)-L-valyl-L-leucylglycyl-N-(9-ethyl-9H-carbazol-3-yl)-|n-(tert-butoxycarbonyl)-l-valyl-l-leucyl-n-{(2s)-5-[(diaminomethylidene)amino]-2-[(9-ethyl-9h-carbazol-3-yl)amino]pentanoyl}glycinamide|(6S,9S)-N-[N~2~-(9-Ethyl-9H-carbazol-3-yl)-L-arginyl]-4,7,10-trihydroxy-2,2-dimethyl-9-(2-methylpropyl)-6-(propan-2-yl)-3-oxa-5,8,11-triazatrideca-4,7,10-trien-13-imidic acid|N-[N~2~-(9-Ethyl-9H-carbazol-3-yl)arginyl]-4,7,10-trihydroxy-2,2-dimethyl-9-(2-methylpropyl)-6-(propan-2-yl)-3-oxa-5,8,11-triazatrideca-4,7,10-trien-13-imidic acid|N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-{(2S)-5 -[(diaminomethylene)amino]-2-[(9-ethyl-9H-carbazol-3-yl)amino]pen tanoyl}glycinamide

Molecular Formula	C38H57N9O6
Molecular Weight	735.4432 g/mol
LogP	4.5
Topological Polar Surface Area	224.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	8
Rotatable Bonds	19
Exact Mass	735.4432
Monoisotopic Mass	735.4432
Heavy Atoms	53
Complexity	1280.0

Chemical Identifiers

CAS Number	874-44-2
SMILES	CCN1C2=C(C=C(C=C2)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C3=CC=CC=C31
InChIKey	IPMPEVFTXLDXAA-HPSLPFNASA-N