Chembl265887

Structural Information

Molecular Formula

C₆₅H₁₁₃N₁₉O₂₂

SMILES

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

InChI

InChI=1S/C65H113N19O22/c1-14-29(7)47(60(102)73-34(12)54(96)84-51(35(13)85)64(106)78-40(26-45(92)93)58(100)81-48(30(8)15-2)61(103)75-36(52(68)94)20-22-41(67)86)83-63(105)50(32(10)17-4)82-57(99)39(25-44(90)91)77-59(101)46(28(5)6)79-62(104)49(31(9)16-3)80-56(98)37(19-18-24-71-65(69)70)76-55(97)38(21-23-43(88)89)74-42(87)27-72-53(95)33(11)66/h28-40,46-51,85H,14-27,66H2,1-13H3,(H2,67,86)(H2,68,94)(H,72,95)(H,73,102)(H,74,87)(H,75,103)(H,76,97)(H,77,101)(H,78,106)(H,79,104)(H,80,98)(H,81,100)(H,82,99)(H,83,105)(H,84,96)(H,88,89)(H,90,91)(H,92,93)(H4,69,70,71)/t29-,30-,31-,32-,33-,34-,35+,36-,37-,38-,39-,40-,46-,47-,48-,49-,50-,51-/m0/s1

InChIKey

QXCLRHMSWKWQIG-OKTHITFQSA-N

Compound name

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

Related CIDs

• CID 505369