| CAS Number | 137593-52-3 |
| Catalog Number | AG009G1U(AGN-PC-0PLINH) |
| Chemical Name | GR 64349 |
| IUPAC Name | (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C42H68N10O11S/c1-23(2)19-32(40(61)46-27(35(45)56)15-18-64-5)52-17-14-28(42(52)63)47-41(62)34(24(3)4)51-38(59)29(20-25-11-7-6-8-12-25)49-39(60)31(22-53)50-37(58)30(21-33(54)55)48-36(57)26(44)13-9-10-16-43/h6-8,11-12,23-24,26-32,34,53H,9-10,13-22,43-44H2,1-5H3,(H2,45,56)(H,46,61)(H,47,62)(H,48,57)(H,49,60)(H,50,58)(H,51,59)(H,54,55)/t26-,27-,28?,29-,30-,31-,32-,34-/m0/s1 |
| InChI Key | HVUNRXRFMQDMBO-BPZYSUIOSA-N |
| MDL Number | MFCD00153800 |
| Molecular Formula | C42H68N10O11S |
| Molecular Weight | 921.1147 |
| SMILES | [C@H](N1CC[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)CC2C=CC=CC=2)C1=O)(CC(C)C)C(=O)N[C@H](C(=O)N)CCSC |
| Synonyms | 3-Lys-8-Gly-R-lactam-9-Leu-neurokinin A (3-10),
GR 64349,
GR-64349,
neurokinin A (3-10), Lys(3)-Gly(8)-R-lactam-Leu(9)-,
neurokinin A (3-10), lysyl(3)-glycyl(8)-R-lactam-leucine(9)-,
GR 64349,
CHEMBL131872,
GR64349,
137593-52-3,
AC1NSK2B,
BDBM50001593,
AKOS024456736,
NCGC00167319-01,
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxopyrrolidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoic acid,
N-{1-[1-(1-{1-[1-(1-Carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butyl]-2-oxo-pyrrolidin-3-ylcarbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-3-(2,6-diamino-hexanoylamino)-succinamic acid,
C42H68N10O11S,
CID5311135,
C42-H68-N10-O11-S,
GR-64349,
3-Lys-8-gly-R-lactam-9-leu-neurokinin A (3-10),
Neurokinin A (3-10), lys(3)-gly(8)-R-lactam-leu(9)-,
Neurokinin A (3-10), lysyl(3)-glycyl(8)-R-lactam-leucine(9)-,
(3R-(1(S*(S*)),3R*))-L-Lysyl-L-alpha-aspartyl-L-seryl-L-phenylalanyl-N-(1-(1-(((1-(aminocarbonyl)-3-(methylthio)propyl)amino)carbonyl)-3-methylbutyl)-2-oxo-3-pyrrolidinyl)-L-valinamide,
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