Substance P, methyl ester-

methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-(diaminomethylideneamino)butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate

Also Known As: Methyl ester-SP|Substance p-methyl ester|Methyl ester-substance P|substance P, methyl ester-|GA4, GA7|Substance P, 11-L-methionine-, methyl ester|Gibberellin A4 mixture with Gibberellin A7|Substance P,11-L-methionine-, methyl ester|methyl 1-{(2s)-2-amino-4-[(diaminomethylidene)amino]butanoyl}-l-prolyl-l-lysyl-l-prolyl-l-glutaminyl-l-glutaminyl-l-phenylalanyl-l-phenylalanylglycyl-l-leucyl-l-methioninate|methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-(diaminomethylideneamino)butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate|2,4a-Dihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, mixt. with (1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a-dihydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid 1,4a-lactone|Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene- 1,4a-lactone mixture with gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone|Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, mixt. with (1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a-dihydroxy-1-methyl-8-methylenegibbane-1,10-dicarboxylic acid 1,4a-lactone|methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-4-guanidino-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate|N/A

Molecular Formula	C63H97N17O14S
Molecular Weight	1347.7122 g/mol
LogP	-1.7
Topological Polar Surface Area	528.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	18
Rotatable Bonds	42
Exact Mass	1347.7122
Monoisotopic Mass	1347.7122
Heavy Atoms	95
Complexity	2620.0

Chemical Identifiers

CAS Number	8030-53-3
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCN=C(N)N)N
InChIKey	KMXCVQGKZYQFIV-CUZNLEPHSA-N