N-Benzyloxycarbonylargininamidorhodamine

HCID 137302

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Basic information

CAS: 87533-95-7
Standard SMILES: NC(N)=NCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)C(CCCN=C(N)N)NC(=O)OCc3ccccc3)ccc1C21OC(=O)c2ccccc21
InChIKey: ADJAGKNNQUNXKA-UHFFFAOYSA-N
Molecular formula: C48H50N10O9
Average molar mass: 911 g/mol
Monoisotopic mass: 910.37622321

Overview

fluorogenic substrate for serine proteinases; structure given in first source

Names & identifiers

Preferred name: N-Benzyloxycarbonylargininamidorhodamine
IUPAC: benzyl N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopentan-2-yl]carbamate
English name: N-benzyloxycarbonylargininamidorhodamine
Molecular formula: C48H50N10O9
Molecular weight: 910.9722

Names & synonyms

BZAR(Cbz-arg-NH)2-rhodamine87533-95-7N-BenzyloxycarbonylargininamidorhodamineCarbamic acid, ((3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3',6'-diyl)bis(imino(1-(3-((aminoiminomethyl)amino)propyl)-2-oxo-2,1-ethanediyl)))bis-, bis(phenylmethyl) esterRefChem:162981benzyl N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopentan-2-yl]carbamateN-Benzyloxycarbonyl-L-argininamidorhodamineBis(N-benzyloxycarbonyl-L-argininamide)rhodamineBis(carbobenzyloxycarbonyl-L-argininamido)rhodamineSCHEMBL30066850

Database identifiers

CAS: 87533-95-7
PubChem CID: 137302

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 299 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 11
Rotatable bonds: 20
Heavy atoms: 67
Formal charge: 0
Complexity: 1,650

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