(2R)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[bis(azanyl)methylideneamino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-(4-oxidanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: (2R)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[bis(azanyl)methylideneamino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-(4-oxidanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: (2R)-N-[(1S)-1-benzyl-2-(4-hydroxybutylamino)-2-oxo-ethyl]-5-guanidino-2-[[(2S)-2-guanidino-3-(4-hydroxyphenyl)propanoyl]amino]pentanamide CAS Name: (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[(2S)-1-(4-hydroxybutylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-(4-hydroxybutylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: (2R)-N-[(1S)-1-benzyl-2-(4-hydroxybutylamino)-2-keto-ethyl]-5-guanidino-2-[[(2S)-2-guanidino-3-(4-hydroxyphenyl)propanoyl]amino]valeramide Formula: C29H43N9O5 MolecularWeight: 597.70902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCCO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCO)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N=C(N)N

InChI

InChI=1S/C29H43N9O5/c30-28(31)35-15-6-9-22(36-27(43)24(38-29(32)33)18-20-10-12-21(40)13-11-20)26(42)37-23(17-19-7-2-1-3-8-19)25(41)34-14-4-5-16-39/h1-3,7-8,10-13,22-24,39-40H,4-6,9,14-18H2,(H,34,41)(H,36,43)(H,37,42)(H4,30,31,35)(H4,32,33,38)/t22-,23+,24+/m1/s1