2-azanyl-6-[[6-(chloranylamino)-2-[chloranyl(ethanoyl)amino]hexanoyl]amino]-N-[2-oxidanylidene-2-[[1-oxidanylidene-3-sulfanyl-1-[(triphenylmethyl)amino]propan-2-yl]amino]ethyl]hexanamide

Systemtic Name: 2-azanyl-6-[[6-(chloranylamino)-2-[chloranyl(ethanoyl)amino]hexanoyl]amino]-N-[2-oxidanylidene-2-[[1-oxidanylidene-3-sulfanyl-1-[(triphenylmethyl)amino]propan-2-yl]amino]ethyl]hexanamide Openeye Name: 6-[[2-[acetyl(chloro)amino]-6-(chloroamino)hexanoyl]amino]-2-amino-N-[2-oxo-2-[[2-oxo-1-(sulfanylmethyl)-2-(tritylamino)ethyl]amino]ethyl]hexanamide CAS Name: 6-[[2-[acetyl(chloro)amino]-6-(chloroamino)-1-oxohexyl]amino]-2-amino-N-[2-[[3-mercapto-1-oxo-1-[(triphenylmethyl)amino]propan-2-yl]amino]-2-oxoethyl]hexanamide IUPAC Name: 6-[[2-[acetyl(chloro)amino]-6-(chloroamino)hexanoyl]amino]-2-amino-N-[2-oxo-2-[[1-oxo-3-sulfanyl-1-(tritylamino)propan-2-yl]amino]ethyl]hexanamide Traditional Name: 6-[[2-[acetyl(chloro)amino]-6-(chloroamino)hexanoyl]amino]-2-amino-N-[2-keto-2-[[2-keto-1-(mercaptomethyl)-2-(tritylamino)ethyl]amino]ethyl]hexanamide Formula: C38H49Cl2N7O5S MolecularWeight: 786.81056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CCCCNCl)C(=O)NCCCCC(C(=O)NCC(=O)NC(CS)C(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N)Cl

Isomeric SMILES

CC(=O)N(C(CCCCNCl)C(=O)NCCCCC(C(=O)NCC(=O)NC(CS)C(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N)Cl

InChI

InChI=1S/C38H49Cl2N7O5S/c1-27(48)47(40)33(22-12-14-24-44-39)37(52)42-23-13-11-21-31(41)35(50)43-25-34(49)45-32(26-53)36(51)46-38(28-15-5-2-6-16-28,29-17-7-3-8-18-29)30-19-9-4-10-20-30/h2-10,15-20,31-33,44,53H,11-14,21-26,41H2,1H3,(H,42,52)(H,43,50)(H,45,49)(H,46,51)