Ac-Glu-Asn-Tyr-Pro-Ile-NH2

Substructure search Find similar structures

Basic information

CAS: 133683-36-0
Standard SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(N)=O
InChIKey: ROKCFSJFVOIVEP-QRQQIBINSA-N
Molecular formula: C31H45N7O10
Average molar mass: 675.7 g/mol
Monoisotopic mass: 675.32279066

Names & identifiers

Preferred name: Ac-Glu-Asn-Tyr-Pro-Ile-NH2
IUPAC: (4S)-4-acetamido-5-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

Names & synonyms

Ac-Glu-Asn-Tyr-Pro-Ile-NH2133683-36-0L-Isoleucinamide, N-acetyl-L-alpha-glutamyl-L-asparaginyl-L-tyrosyl-L-prolyl-DTXSID00158318N-Acetyl-L-alpha-glutamyl-L-asparaginyl-L-tyrosyl-L-prolyl-L-isoleucinamideL-Isoleucinamide, N-acetyl-L-.alpha.-glutamyl-L-asparaginyl-L-tyrosyl-L-prolyl-

Database identifiers

CAS: 133683-36-0
PubChem CID: 452610
DTXSID: DTXSID00158318

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 280 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 10
Rotatable bonds: 18
Heavy atoms: 48
Formal charge: 0
Complexity: 1,210

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…