(2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-5-guanidino-valeramide Formula: C28H40N8O5 MolecularWeight: 568.6678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)N)O

InChI

InChI=1S/C28H40N8O5/c1-17(37)23(29)27(41)34-20(13-8-14-33-28(31)32)25(39)36-22(16-19-11-6-3-7-12-19)26(40)35-21(24(30)38)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-23,37H,8,13-16,29H2,1H3,(H2,30,38)(H,34,41)(H,35,40)(H,36,39)(H4,31,32,33)/t17-,20+,21+,22+,23+/m1/s1