(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoyl]amino]hexanoyl]piperidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoyl]amino]hexanoyl]piperidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-guanidino-2-(methylamino)pentanoyl]amino]hexanoyl]piperidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)-1-oxopentyl]amino]-1-oxohexyl]-2-piperidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]hexanoyl]piperidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-guanidino-2-(methylamino)pentanoyl]amino]hexanoyl]pipecoloyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-valeric acid Formula: C42H69N11O7 MolecularWeight: 840.06676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCCCN3C(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC

InChI

InChI=1S/C42H69N11O7/c1-25(2)22-32(40(59)60)51-38(57)34(42(3,4)5)52-36(55)31(23-26-24-48-28-15-8-7-14-27(26)28)50-37(56)33-18-10-12-21-53(33)39(58)30(16-9-11-19-43)49-35(54)29(46-6)17-13-20-47-41(44)45/h7-8,14-15,24-25,29-34,46,48H,9-13,16-23,43H2,1-6H3,(H,49,54)(H,50,56)(H,51,57)(H,52,55)(H,59,60)(H4,44,45,47)/t29-,30-,31-,32-,33-,34+/m0/s1