CAS 251634-21-6 | L-Proline, L-glutaminyl-L-valyl-L-prolyl-L-seryl-L-arginyl-L-prolyl-L-asparaginyl-L-arginyl-L-alanyl- | CAS Number 251634-21-6

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251634-21-6 | L-Proline, L-glutaminyl-L-valyl-L-prolyl-L-seryl-L-arginyl-L-prolyl-L-asparaginyl-L-arginyl-L-alanyl-

CAS No: 251634-21-6 Catalog No: AG002QPT MDL No:

Product Description

Catalog Number:

AG002QPT

Chemical Name:

L-Proline, L-glutaminyl-L-valyl-L-prolyl-L-seryl-L-arginyl-L-prolyl-L-asparaginyl-L-arginyl-L-alanyl-

CAS Number:

251634-21-6

Molecular Formula:

C47H80N18O14

Molecular Weight:

1121.2503

IUPAC Name:

(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C47H80N18O14/c1-23(2)35(62-36(69)25(48)14-15-33(49)67)44(77)64-19-7-12-31(64)41(74)61-29(22-66)39(72)59-27(10-5-17-56-47(53)54)43(76)63-18-6-11-30(63)40(73)60-28(21-34(50)68)38(71)58-26(9-4-16-55-46(51)52)37(70)57-24(3)42(75)65-20-8-13-32(65)45(78)79/h23-32,35,66H,4-22,48H2,1-3H3,(H2,49,67)(H2,50,68)(H,57,70)(H,58,71)(H,59,72)(H,60,73)(H,61,74)(H,62,69)(H,78,79)(H4,51,52,55)(H4,53,54,56)/t24-,25-,26-,27-,28-,29-,30-,31-,32-,35-/m0/s1

InChI Key:

LHQOQXYEPUSHJL-LNIRUYPRSA-N

SMILES:

OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCCNC(=N)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)N

Properties

Complexity:

2290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1120.61g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1121.269g/mol

Monoisotopic Mass:

1120.61g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

534A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-9.5

Literature

Title	Journal
Dopamine D1 receptor inhibition of NMDA receptor currents mediated by tyrosine kinase-dependent receptor trafficking in neonatal rat striatum.	The Journal of physiology 20081001