Urechistachykinin I

(2S)-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanediamide

Also Known As: Urechistachykinin I|urechistachykininI|Tyrphostin C15|Uru-TK I|H-LRQSQFVGSR-NH2|KST-1A2095|H-Leu-arg-gln-ser-gln-phe-val-gly-ser-arg-NH2|HY-P1768|TP1019|J3.800.955I|Leucyl-arginyl-glutaminyl-seryl-glutaminyl-phenylalanyl-valyl-glycyl-seryl-argininamide|(2s)-n-[(1s)-2-[[(1s)-4-amino-1-[[(1s)-1-benzyl-2-[[(1s)-1-[[2-[[(1s)-2-[[(1s)-1-carbamoyl-4-guanidino-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-2-[[(2s)-2-[[(2s)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]pentanediamide|(2S)-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]pentanediamide|L-Leu-L-Arg-L-Gln-L-Ser-L-Gln-L-Phe-L-Val-Gly-L-Ser-L-Arg-NH2|(S)-2-((S)-2-((S)-5-amino-2-((S)-2-((S)-2-amino-4-methylpentanamido)-5-guanidinopentanamido)-5-oxopentanamido)-3-hydroxypropanamido)-N1-((6S,9S,15S,18S)-1-amino-6-carbamoyl-9-(hydroxymethyl)-1-imino-15-isopropyl-8,11,14,17-tetraoxo-19-phenyl-2,7,10,13,16-pentaazanonadecan-18-yl)pentanediamide|(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-4-METHYLPENTANAMIDO]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]-4-CARBAMOYLBUTANAMIDO]-3-HYDROXYPROPANAMIDO]-N-[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-CARBAMOYL-4-[(DIAMINOMETHYLIDENE)AMINO]BUTYL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}METHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMOYL}-2-PHENYLETHYL]PENTANEDIAMIDE

Molecular Formula	C50H85N19O14
Molecular Weight	1175.6523 g/mol
LogP	-7.0
Topological Polar Surface Area	586.0 Ų
Hydrogen Bond Donors	19
Hydrogen Bond Acceptors	17
Rotatable Bonds	40
Exact Mass	1175.6523
Monoisotopic Mass	1175.6523
Heavy Atoms	83
Complexity	2260.0

Chemical Identifiers

CAS Number	17839-62-2
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChIKey	MXFCWEFJWLZUIJ-RAUUPGJSSA-N