(2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(3R)-6-[bis(azanyl)methylideneamino]-2-oxidanylidene-1-piperazin-1-yl-hexan-3-yl]hexanamide

Systemtic Name: (2R)-2-[[(2R)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(3R)-6-[bis(azanyl)methylideneamino]-2-oxidanylidene-1-piperazin-1-yl-hexan-3-yl]hexanamide Openeye Name: (2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1R)-4-guanidino-1-(2-piperazin-1-ylacetyl)butyl]hexanamide CAS Name: (2R)-2-[[(2R)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(3R)-6-(diaminomethylideneamino)-2-oxo-1-(1-piperazinyl)hexan-3-yl]hexanamide IUPAC Name: (2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(3R)-6-(diaminomethylideneamino)-2-oxo-1-piperazin-1-ylhexan-3-yl]hexanamide Traditional Name: (2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-N-[(1R)-4-guanidino-1-(2-piperazinoacetyl)butyl]hexanamide Formula: C35H53N9O4 MolecularWeight: 663.85322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CCCN=C(N)N)C(=O)CN1CCNCC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCCC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)CN1CCNCC1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C35H53N9O4/c1-2-3-15-29(33(47)41-28(16-10-17-40-35(37)38)31(45)24-44-20-18-39-19-21-44)42-34(48)30(23-26-13-8-5-9-14-26)43-32(46)27(36)22-25-11-6-4-7-12-25/h4-9,11-14,27-30,39H,2-3,10,15-24,36H2,1H3,(H,41,47)(H,42,48)(H,43,46)(H4,37,38,40)/t27-,28-,29-,30-/m1/s1