Aeamsqvtntatim

Structural Information

Molecular Formula

C₅₉H₁₀₂N₁₆O₂₃S₂

SMILES

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

InChI

InChI=1S/C59H102N16O23S2/c1-13-25(4)42(55(93)68-35(59(97)98)19-21-100-12)72-58(96)45(31(10)79)73-48(86)28(7)64-56(94)43(29(8)77)74-52(90)36(22-39(62)81)69-57(95)44(30(9)78)75-54(92)41(24(2)3)71-51(89)32(14-16-38(61)80)67-53(91)37(23-76)70-50(88)34(18-20-99-11)66-47(85)27(6)63-49(87)33(15-17-40(82)83)65-46(84)26(5)60/h24-37,41-45,76-79H,13-23,60H2,1-12H3,(H2,61,80)(H2,62,81)(H,63,87)(H,64,94)(H,65,84)(H,66,85)(H,67,91)(H,68,93)(H,69,95)(H,70,88)(H,71,89)(H,72,96)(H,73,86)(H,74,90)(H,75,92)(H,82,83)(H,97,98)/t25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37-,41-,42-,43-,44-,45-/m0/s1

InChIKey

ADRBGWJNCUEULF-JTAAPEHLSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5480943