Basic information
- CAS
174024-80-7- Standard SMILES
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
GBRBDIAPFAYCMV-NLQWVURJSA-N- Molecular formula
- C27H45N7O13
- Average molar mass
- 675.7 g/mol
- Monoisotopic mass
- 675.30753452
Overview
structure given in first source
Names & identifiers
- Preferred name
- Ac-Arg-Pro-Asp-NH-isobutyl
- IUPAC
- (3S)-3-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-(2-methylpropylamino)-4-oxobutanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
4O4WK05I0Z174024-80-7Ac-Arg-pro-asp-NH-isobutylRefChem:108638Iri-695Iri 695UNII-4O4WK05I0Z(2S)-2-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-(2-methylpropyl)amino]-4-amino-4-oxobutanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid(3S)-3-[[(2S)-1-[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-(2-methylpropylamino)-4-oxobutanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acidACETYL-ARG-PRO-ASP ISOBUTYLAMIDE CITRATEN-Acetyl-L-arginyl-L-prolyl-L-aspartyl-NH-isobutyl citrateL-.ALPHA.-ASPARAGINE, N2-ACETYL-L-ARGINYL-L-PROLYL-N-(2-METHYLPROPYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE
Show more names
L-alpha-Asparagine, N2-(1-(N2-acetyl-L-arginyl)-L-prolyl)-N-(2-methylpropyl)-, 2-hydroxy-1,2,3-propanetricarboxylate
Properties
Computed structural properties
- Topological polar surface area
- 341 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 18
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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