[Gly1,D-Asp3,ADMAdda5,Dhb7]MC-RR
Grundinformationen
- Standard-SMILES
CC=C1N=C(O)CC[C@H](C(=O)O)N=C(O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC(C)=O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)C[C@H](C(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C1O- InChIKey
KSYULEJYRAZDKO-DKIRLTFKSA-N- Summenformel
- C48H71N13O13
- Durchschnittliche Molmasse
- 1.038,2 g/mol
- Monoisotopische Masse
- 1.037,52942933
Überblick
[Gly1,D-Asp3,ADMAdda5,Dhb7]MC-RR is a peptide.
Namen und Bezeichner
- Bevorzugter Name
- [Gly1,D-Asp3,ADMAdda5,Dhb7]MC-RR
- IUPAC
- (8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-19-methyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Namen und Synonyme
[Gly1,D-Asp3,ADMAdda5,Dhb7]MC-RR(Gly1,D-Asp3,ADMAdda5,Dhb7)MC-RR(8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-19-methyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid(8S,11R,15S,18S,19S,22R)-18-((1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-8,15-bis(3-(diaminomethylideneamino)propyl)-2-ethylidene-19-methyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid(8S,11R,15S,18S,19S,22R)-18-((3E,5S,6S)-6-(Acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8,15-bis(3-carbamimidamidopropyl)-2-ethylidene-3,6,9,13,16,20,25-heptahydroxy-19-methyl-1,4,7,10,14,17,21-heptaazacyclopentacosa-1(25),3,6,9,13,16,20-heptaene-11,22-dicarboxylate(8S,11R,15S,18S,19S,22R)-18-[(3E,5S,6S)-6-(Acetyloxy)-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-8,15-bis(3-carbamimidamidopropyl)-2-ethylidene-3,6,9,13,16,20,25-heptahydroxy-19-methyl-1,4,7,10,14,17,21-heptaazacyclopentacosa-1(25),3,6,9,13,16,20-heptaene-11,22-dicarboxylateRefChem:70101CHEBI:213949NS00114556
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 433 Ų
- H-Brücken-Donoren
- 13
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 74
- Formalladung
- 0
- Komplexität
- 2.150
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