(2S,3R)-2-[2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[2-[[(2S)-2-[2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: (2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: (2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butyric acid Formula: C40H72N14O15 MolecularWeight: 989.08448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C40H72N14O15/c1-17(2)13-24(51-38(67)30(20(6)56)54-37(66)29(42)18(3)4)35(64)52-25(16-55)36(65)48-19(5)32(61)50-23(10-11-26(41)58)34(63)46-14-27(59)49-22(9-8-12-45-40(43)44)33(62)47-15-28(60)53-31(21(7)57)39(68)69/h17-25,29-31,55-57H,8-16,42H2,1-7H3,(H2,41,58)(H,46,63)(H,47,62)(H,48,65)(H,49,59)(H,50,61)(H,51,67)(H,52,64)(H,53,60)(H,54,66)(H,68,69)(H4,43,44,45)/t19-,20+,21+,22-,23-,24-,25-,29-,30-,31-/m0/s1