(2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-3-mercapto-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C46H77N19O13S2 MolecularWeight: 1168.35308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC1=CN=CN1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CN=CN2)N)O

InChI

InChI=1S/C46H77N19O13S2/c1-22(2)11-29(41(73)59-27(7-4-5-9-47)40(72)64-33(19-80)45(77)78)60-43(75)32(18-79)63-42(74)31(14-34(49)67)62-44(76)36(23(3)66)65-35(68)17-55-38(70)30(13-25-16-53-21-57-25)61-39(71)28(8-6-10-54-46(50)51)58-37(69)26(48)12-24-15-52-20-56-24/h15-16,20-23,26-33,36,66,79-80H,4-14,17-19,47-48H2,1-3H3,(H2,49,67)(H,52,56)(H,53,57)(H,55,70)(H,58,69)(H,59,73)(H,60,75)(H,61,71)(H,62,76)(H,63,74)(H,64,72)(H,65,68)(H,77,78)(H4,50,51,54)/t23-,26+,27+,28+,29+,30+,31+,32+,33+,36+/m1/s1