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

Systemtic Name: (2S)-5-azanyl-2-[[(2S)-5-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-5-azanyl-5-oxidanylidene-2-[2-[[(2S)-3-oxidanyl-2-[[(2S,3R)-3-oxidanyl-2-[2-[[(2S)-pyrrolidin-2-yl]carbonylamino]ethanoylamino]butanoyl]amino]propanoyl]amino]ethanoylamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]ethyl]amino]butyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-prolyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C51H83N17O21 MolecularWeight: 1270.30602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)CNC(=O)C2CCCN2

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2)O

InChI

InChI=1S/C51H83N17O21/c1-23(2)40(48(85)59-19-38(77)61-27(9-13-34(53)73)45(82)63-29(51(88)89)11-15-36(55)75)67-46(83)31(22-70)64-47(84)32-7-5-17-68(32)50(87)28(10-14-35(54)74)62-44(81)26(8-12-33(52)72)60-37(76)18-58-43(80)30(21-69)65-49(86)41(24(3)71)66-39(78)20-57-42(79)25-6-4-16-56-25/h23-32,40-41,56,69-71H,4-22H2,1-3H3,(H2,52,72)(H2,53,73)(H2,54,74)(H2,55,75)(H,57,79)(H,58,80)(H,59,85)(H,60,76)(H,61,77)(H,62,81)(H,63,82)(H,64,84)(H,65,86)(H,66,78)(H,67,83)(H,88,89)/t24-,25+,26+,27+,28+,29+,30+,31+,32+,40+,41+/m1/s1