IUPAC Name
(2S)-2-[[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-aminopropanoyl]amino]-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid
Synonyms
Urotensin IIB (human, mouse, rat); H-Ala-Cys-Phe-Trp-Lys-Tyr-Cys-Val-OH (Disulfide bridge: Cys2-Cys7); L-alanyl-L-cysteinyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-tyrosyl-L-cysteinyl-L-valine (2->7)-disulfide; UIIB (human, mouse, rat); URP (human, mouse, rat); N-{[(4R,7S,10S,13S,16S,19R)-19-(L-Alanylamino)-10-(4-aminobutyl)-16-benzyl-7-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-valine
Boiling Point
1424.2±65.0°C at 760 mmHg
Sequence
ACFWKYCV (Disulfide bridge: Cys2-Cys7)
Solubility
Soluble in Water
InChI
InChI=1S/C49H64N10O10S2/c1-27(2)41(49(68)69)59-48(67)40-26-71-70-25-39(57-42(61)28(3)51)47(66)55-36(21-29-11-5-4-6-12-29)44(63)56-38(23-31-24-52-34-14-8-7-13-33(31)34)46(65)53-35(15-9-10-20-50)43(62)54-37(45(64)58-40)22-30-16-18-32(60)19-17-30/h4-8,11-14,16-19,24,27-28,35-41,52,60H,9-10,15,20-23,25-26,50-51H2,1-3H3,(H,53,65)(H,54,62)(H,55,66)(H,56,63)(H,57,61)(H,58,64)(H,59,67)(H,68,69)/t28-,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChI Key
WDZHTXUSYGCGPY-KOOAXUMWSA-N
Canonical SMILES
CC(C)C(C(=O)O)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)C(C)N