Compound C50H71N13O12

3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(1-carboxy-2-phenylethyl)carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

CAS: 11128-99-7

Molecular Formula	`C50H71N13O12`
Molecular Weight	1046.2 g/mol
LogP	-1.7
Topological Polar Surface Area	409.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	29
Exact Mass	1045.5345
Heavy Atoms	75
Complexity	1980.0

Chemical Identifiers

CAS Number	11128-99-7
SMILES	`CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N`
InChIKey	`CZGUSIXMZVURDU-UHFFFAOYSA-N`

📖 Product Overview

Compound C50H71N13O12 (CAS: 11128-99-7) is a chemical compound with molecular formula C50H71N13O12 and molecular weight 1046.2 g/mol. Its IUPAC systematic name is 3-amino-4-[[1-[[1-[[1-[[1-[[1-[2-[(1-carboxy-2-phenylethyl)carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid. LogP -1.7 Topological Polar Surface Area 409.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 15 Rotatable Bonds 29 Exact Mass 1045.5345 Heavy Atoms 75 Complexity 1980.0 InChI Key: CZGUSIXMZVURDU-UHFFFAOYSA-N. SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.

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