(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[[(2S)-2-azanyl-3-cyclohexyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S,2R)-1-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-amino-3-cyclohexyl-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S,2R)-1-[[(1S)-1-[[2-[[(1S)-1-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-5-keto-valeric acid Formula: C44H77N11O14 MolecularWeight: 984.14748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC1CCCCC1)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1CCCCC1)N)O

InChI

InChI=1S/C44H77N11O14/c1-21(2)17-29(37(47)62)51-39(64)27(13-15-31(46)58)50-41(66)30(20-56)52-43(68)35(23(5)6)53-32(59)19-48-42(67)34(22(3)4)54-44(69)36(24(7)57)55-40(65)28(14-16-33(60)61)49-38(63)26(45)18-25-11-9-8-10-12-25/h21-30,34-36,56-57H,8-20,45H2,1-7H3,(H2,46,58)(H2,47,62)(H,48,67)(H,49,63)(H,50,66)(H,51,64)(H,52,68)(H,53,59)(H,54,69)(H,55,65)(H,60,61)/t24-,26+,27+,28+,29+,30+,34+,35+,36+/m1/s1