(2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-5-azanyl-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-5-amino-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-(glycylamino)-3-hydroxy-butanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-5-keto-pentanoyl]proline Formula: C30H49N9O12 MolecularWeight: 727.76316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N9O12/c1-14(40)23(36-22(44)13-31)27(47)34-16(7-9-20(32)42)25(45)37-24(15(2)41)29(49)38-11-3-5-18(38)26(46)35-17(8-10-21(33)43)28(48)39-12-4-6-19(39)30(50)51/h14-19,23-24,40-41H,3-13,31H2,1-2H3,(H2,32,42)(H2,33,43)(H,34,47)(H,35,46)(H,36,44)(H,37,45)(H,50,51)/t14-,15-,16+,17+,18+,19+,23+,24+/m1/s1