seryl-HYPE(transpropyl)-octahydroindole-2-carbonyl-arginine

(2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R)-4-propoxypyrrolidine-2-carbonyl]amino]-4-amino-2-[3-(diaminomethylideneamino)propyl]-5-hydroxy-3-oxopentanoic acid

Also Known As: Ser-hype-oic-arg|KST-1A2068|Seryl-hype(transpropyl)-octahydroindole-2-carbonyl-arginine|(2R,4S)-2-[[(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl]-[(2R)-4-propoxypyrrolidine-2-carbonyl]amino]-4-amino-2-[3-(diaminomethylideneamino)propyl]-5-hydroxy-3-oxopentanoic acid|(2r,4s)-4-amino-2-{3-[(diaminomethylidene)amino]propyl}-5-hydroxy-2-([(2s,3as,7ar)-octahydro-1h-indol-2-ylcarbonyl]{[(2r)-4-propoxypyrrolidin-2-yl]carbonyl}amino)-3-oxopentanoic acid(non-preferred name)

Molecular Formula	C26H45N7O7
Molecular Weight	567.3381 g/mol
LogP	-3.7
Topological Polar Surface Area	236.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	14
Exact Mass	567.3381
Monoisotopic Mass	567.3381
Heavy Atoms	40
Complexity	960.0

Chemical Identifiers

CAS Number	1772-59-4
SMILES	CCCOC1C[C@@H](NC1)C(=O)N(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)[C@](CCCN=C(N)N)(C(=O)[C@H](CO)N)C(=O)O
InChIKey	AOXVGYLNAYOFJH-RCSXMCSBSA-N