2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]hexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-prolyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]acetic acid Formula: C42H81N15O9 MolecularWeight: 940.18764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C42H81N15O9/c1-26(2)34(41(66)51-25-33(58)59)57-40(65)31(16-6-10-22-46)55-39(64)32(18-12-24-50-42(47)48)56-38(63)30(15-5-9-21-45)54-37(62)29(14-4-8-20-44)53-36(61)28(13-3-7-19-43)52-35(60)27-17-11-23-49-27/h26-32,34,49H,3-25,43-46H2,1-2H3,(H,51,66)(H,52,60)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,59)(H4,47,48,50)/t27-,28-,29-,30-,31-,32-,34-/m0/s1