Adlevvaatyvlda

Structural Information

Molecular Formula

C₆₅H₁₀₄N₁₄O₂₃

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C65H104N14O23/c1-27(2)22-40(72-59(95)44(26-47(86)87)71-52(88)32(11)66)57(93)70-39(20-21-45(82)83)55(91)76-50(31(9)10)63(99)78-48(29(5)6)61(97)68-33(12)53(89)67-34(13)54(90)79-51(36(15)80)64(100)75-42(24-37-16-18-38(81)19-17-37)60(96)77-49(30(7)8)62(98)74-41(23-28(3)4)58(94)73-43(25-46(84)85)56(92)69-35(14)65(101)102/h16-19,27-36,39-44,48-51,80-81H,20-26,66H2,1-15H3,(H,67,89)(H,68,97)(H,69,92)(H,70,93)(H,71,88)(H,72,95)(H,73,94)(H,74,98)(H,75,100)(H,76,91)(H,77,96)(H,78,99)(H,79,90)(H,82,83)(H,84,85)(H,86,87)(H,101,102)/t32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,48-,49-,50-,51-/m0/s1

InChIKey

ROBAFYMGQLMUGB-SXJCIYBUSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072943