Products 1647119-61-6

CAS 1647119-61-6 appears in our catalog under these names: c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2, Velmupressin. Offered by: Creative Peptides, MedChemExpress. Available pack sizes: on request, Get quote.

c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2
Creative Peptides
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  • Variants: 1
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Velmupressin
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide (CAS 1647119-61-6) is a chemical compound with the molecular formula C42H60ClN11O8S2 and a molecular weight of 946.6 g/mol. IUPAC name: (2S)-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide. InChIKey: VXHQBKSIDHVNIG-ZABOXFJKSA-N.

Identity
Molecular formulaC42H60ClN11O8S2
Molecular weight946.6 g/mol
IUPAC name(2S)-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-15-[(4-chlorophenyl)methyl]-5,8,11,14,17-pentaoxo-9-propan-2-yl-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]-N-[4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
InChIKeyVXHQBKSIDHVNIG-ZABOXFJKSA-N
SMILESCC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CS2)CC3=CC=C(C=C3)Cl)C(=O)N4CCC[C@H]4C(=O)NCCCCN=C(N)N)CC(=O)N

Computed by PubChem (NCBI)

Synonyms: Velmupressin, Velmupressin [INN], c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2, orb1984032