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

Systemtic Name: (2S,3S)-2-[2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C57H100N14O19 MolecularWeight: 1285.4863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CO)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C57H100N14O19/c1-16-29(10)44(57(89)90)70-42(75)23-59-41(74)22-60-51(83)36(17-25(2)3)65-47(79)31(12)61-46(78)30(11)63-52(84)37(18-26(4)5)67-54(86)38(19-27(6)7)66-48(80)32(13)64-53(85)40(21-43(76)77)68-55(87)39(20-28(8)9)69-56(88)45(34(15)73)71-49(81)33(14)62-50(82)35(58)24-72/h25-40,44-45,72-73H,16-24,58H2,1-15H3,(H,59,74)(H,60,83)(H,61,78)(H,62,82)(H,63,84)(H,64,85)(H,65,79)(H,66,80)(H,67,86)(H,68,87)(H,69,88)(H,70,75)(H,71,81)(H,76,77)(H,89,90)/t29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,44-,45-/m0/s1