(4S)-4-azanyl-5-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-o

Systemtic Name: (4S)-4-azanyl-5-[[(2S)-5-azanyl-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-1-o Openeye Name: (4S)-4-amino-5-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo- CAS Name: (4S)-4-amino-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]am IUPAC Name: (4S)-4-amino-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]am Traditional Name: (4S)-4-amino-5-[[(1S)-4-amino-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S)-1-[[2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[2-[[(1S)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-keto-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-keto-butyl]amino]- Formula: C60H103N17O23 MolecularWeight: 1430.55992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H103N17O23/c1-23(2)41(72-52(91)34(19-36(63)82)69-59(98)47(30(13)79)76-57(96)44(26(7)8)73-51(90)33(16-17-35(62)81)68-50(89)32(61)15-18-40(86)87)53(92)65-20-37(83)64-21-38(84)67-28(11)49(88)71-43(25(5)6)56(95)74-45(27(9)10)58(97)75-46(29(12)78)54(93)66-22-39(85)70-42(24(3)4)55(94)77-48(31(14)80)60(99)100/h23-34,41-48,78-80H,15-22,61H2,1-14H3,(H2,62,81)(H2,63,82)(H,64,83)(H,65,92)(H,66,93)(H,67,84)(H,68,89)(H,69,98)(H,70,85)(H,71,88)(H,72,91)(H,73,90)(H,74,95)(H,75,97)(H,76,96)(H,77,94)(H,86,87)(H,99,100)/t28-,29+,30+,31+,32-,33-,34-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1