(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-amino-4-oxo-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methyl-1-oxopropyl)amino]-4-amino-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[(2-acetamido-2-methyl-propanoyl)amino]-4-amino-4-keto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-methyl-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-2-methyl-propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C58H100N12O14 MolecularWeight: 1189.4866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H100N12O14/c1-18-33(9)43(64-46(74)38(29-42(59)72)63-53(82)56(12,13)66-35(11)71)50(78)65-44(34(10)19-2)51(79)68-58(16,17)55(84)69-24-20-22-40(69)48(76)61-36(26-30(3)4)45(73)60-37(27-31(5)6)47(75)67-57(14,15)54(83)70-25-21-23-41(70)49(77)62-39(52(80)81)28-32(7)8/h30-34,36-41,43-44H,18-29H2,1-17H3,(H2,59,72)(H,60,73)(H,61,76)(H,62,77)(H,63,82)(H,64,74)(H,65,78)(H,66,71)(H,67,75)(H,68,79)(H,80,81)/t33-,34-,36-,37-,38-,39-,40-,41-,43-,44-/m0/s1