Products 745816-74-4

CAS 745816-74-4 appears in our catalog under these names: (D–Arg?)–Inotocin, (D-Arg8)-Inotocin. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, Get quote.

(D–Arg?)–Inotocin
GLPBio
  • size: 1mg
  • Variants: 1
from 2533.83
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(D-Arg8)-Inotocin
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CAS 745816-74-4) is a chemical compound with the molecular formula C39H68N14O11S2 and a molecular weight of 973.2 g/mol. IUPAC name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide. InChIKey: SIYJZPZEWJFZRZ-YEDNXIKFSA-N.

Identity
Molecular formulaC39H68N14O11S2
Molecular weight973.2 g/mol
IUPAC name(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-16-(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChIKeySIYJZPZEWJFZRZ-YEDNXIKFSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O

Computed by PubChem (NCBI)

Synonyms: (D-Arg8)-Inotocin, orb2277343, (D-Arg?)-Inotocin trifluoroacetate