(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2,5-bis(azanyl)pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-1-oxopentyl]amino]-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diaminopentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H34N8O4 MolecularWeight: 474.55656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN)N

InChI

InChI=1S/C22H34N8O4/c23-9-3-6-15(24)19(31)29-17(8-4-10-27-22(25)26)20(32)30-18(21(33)34)11-13-12-28-16-7-2-1-5-14(13)16/h1-2,5,7,12,15,17-18,28H,3-4,6,8-11,23-24H2,(H,29,31)(H,30,32)(H,33,34)(H4,25,26,27)/t15-,17-,18-/m0/s1