7-Ornithine-tyrocidine A

(2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopent-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide;dihydrochloride

Also Known As: Orn-TA|7-Ornithine-tyrocidine A|(L-Orn(7))-TA|7-L-Ornithine-tyrocidine A|Tyrocidine A, 10-L-ornithine-, dihydrochloride|Gramicidin S, 4-L-phenylalanine-6-L-asparagine-7-L-glutamine-8-L-tyrosine-, dihydrochloride|(2S)-N-[(2S)-1-[[(2S)-1-[[(Z,2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopent-3-en-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanediamide dihydrochloride

Molecular Formula	C62H90Cl2N14O13
Molecular Weight	1308.6189 g/mol
LogP	-1.2439
Topological Polar Surface Area	454.65 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	16
Rotatable Bonds	37
Exact Mass	1308.6189
Monoisotopic Mass	1308.6189
Heavy Atoms	91
Complexity	2928.3284

Chemical Identifiers

CAS Number	79774-99-5
SMILES	CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCN)C=O)NC(=O)[C@H](/C=C\CN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N.Cl.Cl