Guanyl-damme

(2S)-2-(diaminomethylideneamino)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Also Known As: Guanyl-damme|(2S)-2-(diaminomethylideneamino)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide|(2S)-N-(carbamimidoyl-L-tyrosyl-D-alanylglycyl)-2-(((2S)-1-hydroxy-4-(methylsulfinyl)butan-2-yl)(methyl)amino)-3-phenylpropanamide|L-Phenylalaninamide, N-(aminoiminomethyl)-L-tyrosyl-D-alanylglycyl-N-(1-(hydroxymethyl)-3-(methylsulfinyl)propyl)-nalpha-methyl-, (1S)-|(2S)-2-(Carbamimidoylamino)-N-[(2R)-1-hydroxy-1-{[2-hydroxy-2-({N-[(2S)-1-hydroxy-4-(methanesulfinyl)butan-2-yl]-N-methyl-L-phenylalanyl}imino)ethyl]imino}propan-2-yl]-3-(4-hydroxyphenyl)propanimidic acid|(2s)-n-[2-[[(2r)-2-[[(2s)-2-guanidino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-2-[methyl-[(1s)-1-methylol-3-methylsulfinyl-propyl]amino]-3-phenyl-propionamide|2-Carbamimidamido-N-(1-hydroxy-1-{[2-hydroxy-2-({N-[1-hydroxy-4-(methanesulfinyl)butan-2-yl]-N-methylphenylalanyl}imino)ethyl]imino}propan-2-yl)-3-(4-hydroxyphenyl)propanimidic acid

Molecular Formula	C30H43N7O7S
Molecular Weight	645.2945 g/mol
LogP	-1.487
Topological Polar Surface Area	229.54 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	17
Exact Mass	645.2945
Monoisotopic Mass	645.2945
Heavy Atoms	45
Complexity	1337.9321

Chemical Identifiers

CAS Number	82017-64-9
SMILES	C[C@H](C(=O)NCC(=O)NC(=O)[C@H](CC1=CC=CC=C1)N(C)[C@@H](CCS(=O)C)CO)NC(=O)[C@H](CC2=CC=C(C=C2)O)N=C(N)N