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Details

Stereochemistry ABSOLUTE
Molecular Formula C54H83N15O10
Molecular Weight 1102.3313
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKF-105494

SMILES

[H][C@]2(CC1=CC=C(OCC)C=C1)NC(=O)CC3(CCCCC3)CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC4=CC=CC=C4)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O

InChI

InChIKey=PZEDOGNXHJQAKP-CQRSLYTBSA-N
InChI=1S/C54H83N15O10/c1-4-79-35-21-19-34(20-22-35)29-39-48(75)67-40(28-33-14-7-5-8-15-33)50(77)69-44(32(2)3)51(78)68-41(30-42(55)70)49(76)66-37(16-11-25-54(31-43(71)63-39)23-9-6-10-24-54)47(74)65-38(18-13-27-62-53(59)60)46(73)64-36(45(56)72)17-12-26-61-52(57)58/h5,7-8,14-15,19-22,32,36-41,44H,4,6,9-13,16-18,23-31H2,1-3H3,(H2,55,70)(H2,56,72)(H,63,71)(H,64,73)(H,65,74)(H,66,76)(H,67,75)(H,68,78)(H,69,77)(H4,57,58,61)(H4,59,60,62)/t36-,37+,38+,39-,40+,41+,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula C54H83N15O10
Molecular Weight 1102.3313
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:51:22 GMT 2023
Edited
by admin
on Sat Dec 16 04:51:22 GMT 2023
Record UNII
KEA5P2PVL9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKF-105494
Code English
D-ARGININAMIDE, O-ETHYL-D-TYROSYL-L-PHENYLALANYL-L-VALYL-L-ASPARAGINYL-5-(1-(CARBOXYMETHYL)CYCLOHEXYL)-L-NORVALYL-L-ARGINYL-, CYCLIC (5->1)-PEPTIDE
Systematic Name English
Code System Code Type Description
CAS
114923-99-8
Created by admin on Sat Dec 16 04:51:22 GMT 2023 , Edited by admin on Sat Dec 16 04:51:22 GMT 2023
PRIMARY
PUBCHEM
9963434
Created by admin on Sat Dec 16 04:51:22 GMT 2023 , Edited by admin on Sat Dec 16 04:51:22 GMT 2023
PRIMARY
FDA UNII
KEA5P2PVL9
Created by admin on Sat Dec 16 04:51:22 GMT 2023 , Edited by admin on Sat Dec 16 04:51:22 GMT 2023
PRIMARY