Products 1211953-97-7

CAS 1211953-97-7 is the registry number for Aspartocin D. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote.

Aspartocin D
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(3S)-4-[[(3S,4R,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-10-methylundec-3-enoyl]amino]-4-oxobutanoic acid (CAS 1211953-97-7) is a chemical compound with the molecular formula C57H89N13O20 and a molecular weight of 1276.4 g/mol. IUPAC name: (3S)-4-[[(3S,4R,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-10-methylundec-3-enoyl]amino]-4-oxobutanoic acid. InChIKey: YHIXQCPAIOGTGT-GIOMGZJDSA-N.

Identity
Molecular formulaC57H89N13O20
Molecular weight1276.4 g/mol
IUPAC name(3S)-4-[[(3S,4R,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-10-methylundec-3-enoyl]amino]-4-oxobutanoic acid
InChIKeyYHIXQCPAIOGTGT-GIOMGZJDSA-N
SMILESC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)[C@@H](C)N)CC(=O)O)CC(=O)O)[C@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C/C=C\CCCCCC(C)C

Computed by PubChem (NCBI)