(4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4,18-bis((1S)-1-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
Basic information
- CAS
120853-15-8- Standard SMILES
CC[C@H](C)[C@@H]1NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H]([C@@H](C)CC)NC(=O)c2csc(n2)[C@@H](C)NC(=O)[C@H]2N=C1O[C@@H]2C- InChIKey
HZUISCIYFHWTKA-WLCQTKGUSA-N- Molecular formula
- C38H48N8O6S2
- Average molar mass
- 777 g/mol
- Monoisotopic mass
- 776.31382363
Overview
Patellamide D is a cyclic peptide.
Names & identifiers
- Preferred name
- (4S,7R,8S,11R,18S,21R,22S,25R)-7,11,21-Trimethyl-4,18-bis((1S)-1-methylpropyl)-25-(phenylmethyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone
- IUPAC
- (4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4,18-bis[(2S)-butan-2-yl]-7,21,25-trimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
- English name
- patellamide D
- Molecular formula
- C38H48N8O6S2
- Molecular weight
- 776.96772
Names & synonyms
Patellamide D120853-15-8DTXSID70153037(4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4,18-bis[(2S)-butan-2-yl]-7,21,25-trimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetroneUlithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-dide(2-methylpropyl)-8-methyl-1,15-bis(1-methylpropyl)-22-(phenylmethyl)-, (1S(S),8R,15S(S),22R)-(4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4,18-bis((2S)-butan-2-yl)-7,21,25-trimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetroneRefChem:906165DTXCID0075528(4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4,18-di(butan-2-yl)-7,21,25-trimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,450
Chemistry & industry
Additional notes
DefinitionChEBI: Patellamide D is a cyclic peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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