(3,4-Dehydro-Pro2,4)-Substance P

2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

Also Known As: (3,4-Dehydro-Pro2,4)-Substance P|[Dehydro-Pro2,4]-Substance P|(3,4-Dehydro-Pro2.4)-Substance P|Arg-|APro-Lys-|APro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2|2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide|H-Arg-3,4-dehydro-Pro-Lys-3,4-dehydro-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2|2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-N-[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl|N~2~-[1-(N~2~-{1-[N~5~-(Diaminomethylidene)ornithyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}lysyl)-2,5-dihydro-1H-pyrrole-2-carbonyl]glutaminylglutaminylphenylalanylphenylalanylglycylleucylmethioninamide

Molecular Formula	C63H94N18O13S
Molecular Weight	1342.6969 g/mol
LogP	-4.159
Topological Polar Surface Area	519.13 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	17
Rotatable Bonds	42
Exact Mass	1342.6969
Monoisotopic Mass	1342.6969
Heavy Atoms	95
Complexity	3061.804

Chemical Identifiers

CAS Number	87367-30-4
SMILES	CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3C=CCN3C(=O)C(CCCCN)NC(=O)C4C=CCN4C(=O)C(CCCN=C(N)N)N