(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-(2-azanylethanoylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[(2-amino-1-oxoethyl)amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-(glycylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]prolyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]prolyl]proline Formula: C49H83N11O15 MolecularWeight: 1066.24802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)O)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)O)NC(=O)CN

InChI

InChI=1S/C49H83N11O15/c1-11-25(6)36(53-34(64)22-50)42(67)52-30(21-23(2)3)40(65)55-38(28(9)62)45(70)57-39(29(10)63)44(69)54-35(24(4)5)48(73)58-18-12-15-31(58)41(66)56-37(27(8)61)43(68)51-26(7)46(71)59-19-13-16-32(59)47(72)60-20-14-17-33(60)49(74)75/h23-33,35-39,61-63H,11-22,50H2,1-10H3,(H,51,68)(H,52,67)(H,53,64)(H,54,69)(H,55,65)(H,56,66)(H,57,70)(H,74,75)/t25-,26-,27+,28+,29+,30-,31-,32-,33-,35-,36-,37-,38-,39-/m0/s1