(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]prolyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]amino]-3-hydroxy-butyric acid Formula: C41H74N16O14 MolecularWeight: 1015.12506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C41H74N16O14/c1-18(2)28(54-35(66)25(11-8-14-48-41(45)46)53-33(64)23(42)17-58)38(69)57-15-9-12-26(57)36(67)49-16-27(61)52-24(10-7-13-47-40(43)44)34(65)50-19(3)31(62)55-29(21(5)59)37(68)51-20(4)32(63)56-30(22(6)60)39(70)71/h18-26,28-30,58-60H,7-17,42H2,1-6H3,(H,49,67)(H,50,65)(H,51,68)(H,52,61)(H,53,64)(H,54,66)(H,55,62)(H,56,63)(H,70,71)(H4,43,44,47)(H4,45,46,48)/t19-,20-,21+,22+,23-,24-,25-,26-,28-,29-,30-/m0/s1