(2R)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl-[3-[bis(azanyl)methylideneamino]propyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-[2-[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoyl-[3-[bis(azanyl)methylideneamino]propyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-cyclohexyl-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]-[3-(diaminomethylideneamino)propyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: (2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C51H90N18O13 MolecularWeight: 1163.3731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)CN(CCCN=C(N)N)C(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2CCCCC2)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H](C(C)C)C(=O)O)NC(=O)CN(CCCN=C(N)N)C(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C51H90N18O13/c1-8-27(4)39(47(79)66-38(26(2)3)49(81)82)65-36(72)24-69(19-13-18-59-51(55)56)37(73)23-60-46(78)40(29(6)70)68-48(80)41(30(7)71)67-45(77)35(21-32-22-57-25-61-32)64-44(76)34(20-31-14-10-9-11-15-31)63-42(74)28(5)62-43(75)33(52)16-12-17-58-50(53)54/h22,25-31,33-35,38-41,70-71H,8-21,23-24,52H2,1-7H3,(H,57,61)(H,60,78)(H,62,75)(H,63,74)(H,64,76)(H,65,72)(H,66,79)(H,67,77)(H,68,80)(H,81,82)(H4,53,54,58)(H4,55,56,59)/t27?,28-,29+,30+,33-,34-,35-,38+,39-,40-,41-/m0/s1