(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]propanoyl]prolyl]amino]-3-methyl-butyric acid Formula: C35H58N12O14 MolecularWeight: 870.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C35H58N12O14/c1-14(2)26(35(60)61)45-32(57)21-6-5-11-47(21)34(59)15(3)41-30(55)19(12-24(39)51)43-31(56)20(13-25(40)52)44-33(58)27(16(4)48)46-29(54)18(8-10-23(38)50)42-28(53)17(36)7-9-22(37)49/h14-21,26-27,48H,5-13,36H2,1-4H3,(H2,37,49)(H2,38,50)(H2,39,51)(H2,40,52)(H,41,55)(H,42,53)(H,43,56)(H,44,58)(H,45,57)(H,46,54)(H,60,61)/t15-,16+,17-,18-,19-,20-,21-,26-,27-/m0/s1