(3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,4R)-1-[(2S)-3-methyl-2-oxidanyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonyl-amino]butanoyl]amino]butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-3-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,4R)-1-[(2S)-3-methyl-2-oxidanyl-butanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonyl-amino]butanoyl]amino]butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-2-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-methyl-amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]-methyl-carbamoyl]-2-methyl-butyl]-methyl-amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[[(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-methylamino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-methylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,4R)-4-hydroxy-1-[(2S)-2-hydroxy-3-methyl-butanoyl]prolyl]-methyl-amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-4-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-2-hydroxy-2-keto-1-p-anisyl-ethyl]carbamoyl]-2-methyl-propyl]-methyl-amino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]-methyl-carbamoyl]-2-methyl-butyl]-methyl-amino]-4-keto-butyric acid Formula: C58H95N9O16 MolecularWeight: 1174.4256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)N(C)C(C(C)C)C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)O)N(C)C(=O)C(C(C)CC)N(C)C(=O)C(CC(=O)O)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C2CC(CN2C(=O)C(C(C)C)O)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)O)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CC(=O)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)O)O

InChI

InChI=1S/C58H95N9O16/c1-19-34(11)47(50(73)59-28-42(69)63(14)45(31(5)6)51(74)60-39(58(81)82)25-36-21-23-38(83-18)24-22-36)65(16)56(79)48(35(12)20-2)66(17)53(76)40(27-43(70)71)62(13)55(78)44(30(3)4)61-52(75)46(32(7)8)64(15)54(77)41-26-37(68)29-67(41)57(80)49(72)33(9)10/h21-24,30-35,37,39-41,44-49,68,72H,19-20,25-29H2,1-18H3,(H,59,73)(H,60,74)(H,61,75)(H,70,71)(H,81,82)/t34-,35-,37+,39-,40-,41-,44-,45-,46-,47-,48-,49-/m0/s1