2-[(4S)-5-[4-(12-azanyldodecanoyl)piperazin-1-yl]-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[(4S)-5-[4-(12-azanyldodecanoyl)piperazin-1-yl]-4-(naphthalen-1-ylsulfonylamino)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-4-(1-naphthylsulfonylamino)-5-oxo-pentyl]guanidine CAS Name: 2-[(4S)-5-[4-(12-amino-1-oxododecyl)-1-piperazinyl]-4-(1-naphthalenylsulfonylamino)-5-oxopentyl]guanidine IUPAC Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazin-1-yl]-4-(naphthalen-1-ylsulfonylamino)-5-oxopentyl]guanidine Traditional Name: 2-[(4S)-5-[4-(12-aminododecanoyl)piperazino]-5-keto-4-(1-naphthylsulfonylamino)pentyl]guanidine Formula: C32H51N7O4S MolecularWeight: 629.85684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCCCCCCCCN)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1CN(CCN1C(=O)CCCCCCCCCCCN)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C32H51N7O4S/c33-20-11-7-5-3-1-2-4-6-8-19-30(40)38-22-24-39(25-23-38)31(41)28(17-13-21-36-32(34)35)37-44(42,43)29-18-12-15-26-14-9-10-16-27(26)29/h9-10,12,14-16,18,28,37H,1-8,11,13,17,19-25,33H2,(H4,34,35,36)/t28-/m0/s1