(2R,6S,7R)-6-azanyl-2-[[(2S)-3-azanyl-2-[[(3R)-3-azanyl-3-oxidanyl-propanoyl]-[(2S)-3-azanyl-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[2-[3-[4-[bis(azanyl)methylideneamino]butylamino]propylamino]ethanoylamino]-7-oxidanyl-9-oxidanylidene-nonanoic acid

Systemtic Name: (2R,6S,7R)-6-azanyl-2-[[(2S)-3-azanyl-2-[[(3R)-3-azanyl-3-oxidanyl-propanoyl]-[(2S)-3-azanyl-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[2-[3-[4-[bis(azanyl)methylideneamino]butylamino]propylamino]ethanoylamino]-7-oxidanyl-9-oxidanylidene-nonanoic acid Openeye Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-propanoyl]-[(2S)-3-amino-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-guanidinobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxo-nonanoic acid CAS Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-1-oxopropyl]-[(2S)-3-amino-1-oxo-2-phenylpropyl]amino]-1-oxopropyl]amino]-9-[[2-[3-[4-(diaminomethylideneamino)butylamino]propylamino]-1-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid IUPAC Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-[4-(diaminomethylideneamino)butylamino]propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid Traditional Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-propanoyl]-[(2S)-3-amino-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-guanidinobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-keto-pelargonic acid Formula: C34H60N12O9 MolecularWeight: 780.9152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)C(=O)N(C(CN)C(=O)NC(CCCC(C(CC(=O)NC(=O)CNCCCNCCCCN=C(N)N)O)N)C(=O)O)C(=O)CC(N)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CN)C(=O)N([C@@H](CN)C(=O)N[C@H](CCC[C@@H]([C@@H](CC(=O)NC(=O)CNCCCNCCCCN=C(N)N)O)N)C(=O)O)C(=O)C[C@H](N)O

InChI

InChI=1S/C34H60N12O9/c35-18-22(21-8-2-1-3-9-21)32(53)46(30(51)17-27(38)48)25(19-36)31(52)44-24(33(54)55)11-6-10-23(37)26(47)16-28(49)45-29(50)20-42-14-7-13-41-12-4-5-15-43-34(39)40/h1-3,8-9,22-27,41-42,47-48H,4-7,10-20,35-38H2,(H,44,52)(H,54,55)(H4,39,40,43)(H,45,49,50)/t22-,23+,24-,25+,26-,27-/m1/s1