Ac-TTSTRR-alphaketo-SL-CONH2

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(diaminomethylideneamino)-2-oxohexanamide

Also Known As: Ac-TTSTRR-alphaketo-SL-CONH2|(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-6-(diaminomethylideneamino)-2-oxohexanamide|L-Leucinamide, N-acetyl-L-threonyl-L-threonyl-L-seryl-L-threonyl-L-arginyl-(3S)-3-amino-6-[(aminoiminomethyl)amino]-2-oxohexanoyl-L-seryl- (9CI)|N-Acetyl-L-threonyl-L-threonyl-L-seryl-L-threonyl-N-{(3S)-1-{[(2S)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-1-oxopropan-2-yl]amino}-6-[(diaminomethylidene)amino]-1,2-dioxohexan-3-yl}-N~5~-(diaminomethylidene)-L-ornithinamide

Molecular Formula	C39H71N15O15
Molecular Weight	989.5254 g/mol
LogP	-8.0
Topological Polar Surface Area	523.0 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	17
Rotatable Bonds	32
Exact Mass	989.5254
Monoisotopic Mass	989.5254
Heavy Atoms	69
Complexity	1850.0

Chemical Identifiers

CAS Number	404586-85-2
SMILES	CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)O)NC(=O)[C@H](C(C)O)NC(=O)C
InChIKey	XIHZKTUOWOBWGN-XBXJXNLWSA-N