2-[[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-N-[2-[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]-3-butan-2-yl-6-ethyl-4,7,12-tris(oxidanylidene)-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methyl-pentanamide

Systemtic Name: 2-[[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-N-[2-[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]-3-butan-2-yl-6-ethyl-4,7,12-tris(oxidanylidene)-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methyl-pentanamide Openeye Name: 2-[[1-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-N-[2-[1-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentyl]-6-ethyl-4,7,12-trioxo-3-sec-butyl-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methyl-pentanamide CAS Name: 2-[[1-[(2-amino-3-mercaptopropyl)amino]-3-methylpentyl]amino]-N-[2-[1-[(2-amino-3-mercaptopropyl)amino]-3-methylpentyl]-3-butan-2-yl-6-ethyl-4,7,12-trioxo-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methylpentanamide IUPAC Name: 2-[[1-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentyl]amino]-N-[2-[1-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentyl]-3-butan-2-yl-6-ethyl-4,7,12-trioxo-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methylpentanamide Traditional Name: 2-[[1-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentyl]amino]-N-[2-[1-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentyl]-6-ethyl-4,7,12-triketo-3-sec-butyl-1,8-dioxa-2,5-diazacyclododec-11-yl]-3-methyl-valeramide Formula: C38H76N8O6S2 MolecularWeight: 805.19004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)OCCC(C(=O)ON(C(C(=O)N1)C(C)CC)C(CC(C)CC)NCC(CS)N)NC(=O)C(C(C)CC)NC(CC(C)CC)NCC(CS)N

Isomeric SMILES

CCC1C(=O)OCCC(C(=O)ON(C(C(=O)N1)C(C)CC)C(CC(C)CC)NCC(CS)N)NC(=O)C(C(C)CC)NC(CC(C)CC)NCC(CS)N

InChI

InChI=1S/C38H76N8O6S2/c1-10-23(6)17-31(41-19-27(39)21-53)45-33(25(8)12-3)35(47)44-30-15-16-51-37(49)29(14-5)43-36(48)34(26(9)13-4)46(52-38(30)50)32(18-24(7)11-2)42-20-28(40)22-54/h23-34,41-42,45,53-54H,10-22,39-40H2,1-9H3,(H,43,48)(H,44,47)