Oxytocin, deamino-(N-Me-leu)(8)-

N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

Also Known As: Oxytocin, deamino-(N-Me-leu)(8)-|Deamino-8-(N-Me-leu)-oxytocin|Oxytocin, deamino-(N-methylleucine)(8)-|Oxytocin, 1-(3-mercaptopropanoic acid)-8-(N-methyl-L-leucine)-|1-{[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-(butan-2-yl)-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolyl-n-methylleucylglycinamide|N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

Molecular Formula	C44H67N11O12S2
Molecular Weight	1005.4412 g/mol
LogP	-1.6
Topological Polar Surface Area	415.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	14
Rotatable Bonds	17
Exact Mass	1005.4412
Monoisotopic Mass	1005.4412
Heavy Atoms	69
Complexity	1870.0

Chemical Identifiers

CAS Number	91469-75-9
SMILES	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)N(C)C(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChIKey	BNBFRAYJXITFNR-UHFFFAOYSA-N