CAS
9033-16-3 Purity
96%
9033-16-3 Purity
96%
Inquiry Basket
Beta-mercapto-beta,beta-cyclopentamethylene-propionyl-tyr(et)-phe-val-asn-cys-pro-arg-nh2
CAS
90332-81-3
Catalog Number
ACM90332813
Category
Other Products
Molecular Weight
1079.34
Molecular Formula
C51H74N12O10S2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
[1-MERCAPTOCYCLOHEXYL]ACETYL-TYR[O-ETHYL]-PHE-VAL-ASN-CYS-PRO-ARG-NH2;(1-MERCAPTOCYCLOHEXYL)ACETYL-TYR(O-ETHYL)-PHE-VAL-ASN-CYS-PRO-ARG-NH2 [DISULFIDE BRIDGE: 1-6];BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-TYR(ET)-PHE-VAL-ASN-CYS-PRO-ARG-NH2;
What is the molecular formula of the compound?
The molecular formula is C51H74N12O10S2.
When was the compound created?
The compound was created on October 25, 2006.
What is the molecular weight of the compound?
The molecular weight is 1079.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-19-benzyl-22-[(4-ethoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-16-propan-2-yl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
What is the InChI of the compound?
The InChI is InChI=1S/C51H74N12O10S2/c1-4-73-33-19-17-32(18-20-33)26-35-44(67)59-36(25-31-13-7-5-8-14-31)46(69)62-42(30(2)3)48(71)60-37(27-40(52)64)45(68)61-38(29-74-75-51(28-41(65)57-35)21-9-6-10-22-51)49(72)63-24-12-16-39(63)47(70)58-34(43(53)66)15-11-23-56-50(54)55/h5,7-8,13-14,17-20,30,34-39,42H,4,6,9-12,15-16,21-29H2,1-3H3,(H2,52,64)(H2,53,66)(H,57,65)(H,58,70)(H,59,67)(H,60,71)(H,61,68)(H,62,69)(H4,54,55,56)/t34-,35-,36-,37-,38-,39-,42-/m0/s1.
What is the InChIKey of the compound?
The InChIKey is DRLYXDZRLDZVIS-RYGIWOHNSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)N)CC(=O)N)C(C)C)CC5=CC=CC=C5.
How many hydrogen bond donor counts does the compound have?
The compound has 10 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.1.
What is the topological polar surface area of the compound?
The topological polar surface area is 405 Å2.
Recommended Products
