Compound C59H95N15O18S

3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

CAS: 63968-82-1

Molecular Formula	`C59H95N15O18S`
Molecular Weight	1334.5 g/mol
LogP	-7.5
Topological Polar Surface Area	570.0 A2
Hydrogen Bond Donors	17
Hydrogen Bond Acceptors	21
Rotatable Bonds	43
Exact Mass	1333.67
Heavy Atoms	93
Complexity	2590.0

Chemical Identifiers

CAS Number	63968-82-1
SMILES	`CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N`
InChIKey	`NXTPETCPVNEEOP-UHFFFAOYSA-N`

📖 Product Overview

Compound C59H95N15O18S (CAS: 63968-82-1) is a chemical compound with molecular formula C59H95N15O18S and molecular weight 1334.5 g/mol. Its IUPAC systematic name is 3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid. LogP -7.5 Topological Polar Surface Area 570.0 A2 Hydrogen Bond Donors 17 Hydrogen Bond Acceptors 21 Rotatable Bonds 43 Exact Mass 1333.67 Heavy Atoms 93 Complexity 2590.0 InChI Key: NXTPETCPVNEEOP-UHFFFAOYSA-N. SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N.

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