Isoleucyl-arginyl-isoleucyl-cysteinyl-arginyl-lysyl-glycine ethyl ester

ethyl 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetate

Also Known As: Iaicalg|Ile-arg-ile-cys-arg-lys-gly-ethyl ester|Ile-arg-ile-cys(MT)-arg-lys-gly-oet|Ile-Arg-Ile-Cys-Arg-Lys-Gly-OEt|Isoleucyl-arginyl-isoleucyl-cysteinyl-arginyl-lysyl-glycine ethyl ester|ethyl 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]acetate|isoleucyl-arginyl-isoleucyl-cysteinyl-arginyl-lysyl-glycine|Glycine, N-(N2-(N2-(N-(N-(N2-L-isoleucyl-L-arginyl)-L-isoleucyl)-L-cysteinyl)-L-arginyl)-L-lysyl)-, ethyl ester|3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(acetyloxy)-4-mercapto-N,N,N-trimethyl-,hydroxide,inner salt,4-oxide,(R-(R*,R*))|Ethyl L-isoleucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-isoleucyl-L-cysteinyl-N~5~-(diaminomethylidene)-L-ornithyl-L-lysylglycinate|Glycine,N-[N2-[N2-[N-[N-(N2-L-isoleucyl-L-arginyl)-L-isoleucyl]-L-cysteinyl]-L-arginyl]-L-lysyl]-,ethyl ester (9CI)

Molecular Formula	C37H72N14O8S
Molecular Weight	872.53784 g/mol
LogP	-3.3248
Topological Polar Surface Area	381.74 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	13
Rotatable Bonds	31
Exact Mass	872.53784
Monoisotopic Mass	872.53784
Heavy Atoms	60
Complexity	1430.0521

Chemical Identifiers

CAS Number	110786-25-9
SMILES	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)OCC)N