N-[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[[(2S)-1-oxidanylidenepropan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-4-guanidino-1-[[(1S)-1-methyl-2-oxo-ethyl]carbamoyl]butyl]carbamoyl]pentyl]carbamoyl]pentyl]benzamide CAS Name: N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[(1S)-5-amino-1-[[(1S)-4-guanidino-1-[[(1S)-2-keto-1-methyl-ethyl]carbamoyl]butyl]carbamoyl]pentyl]carbamoyl]pentyl]benzamide Formula: C28H46N8O5 MolecularWeight: 574.71544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C=O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C=O)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H46N8O5/c1-3-4-13-21(34-24(38)20-11-6-5-7-12-20)26(40)35-22(14-8-9-16-29)27(41)36-23(15-10-17-32-28(30)31)25(39)33-19(2)18-37/h5-7,11-12,18-19,21-23H,3-4,8-10,13-17,29H2,1-2H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H4,30,31,32)/t19-,21-,22-,23-/m0/s1