Oligopeptide-68

Structural Information

Molecular Formula

C₅₆H₈₃N₁₅O₁₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C56H83N15O17/c1-6-28(4)45(70-49(81)36(17-18-42(58)75)64-43(76)25-63-48(80)39(23-44(77)78)65-47(79)34(57)11-9-19-61-56(59)60)53(85)66-37(20-27(2)3)50(82)69-41(26-72)52(84)71-46(29(5)73)54(86)67-38(22-31-24-62-35-12-8-7-10-33(31)35)51(83)68-40(55(87)88)21-30-13-15-32(74)16-14-30/h7-8,10,12-16,24,27-29,34,36-41,45-46,62,72-74H,6,9,11,17-23,25-26,57H2,1-5H3,(H2,58,75)(H,63,80)(H,64,76)(H,65,79)(H,66,85)(H,67,86)(H,68,83)(H,69,82)(H,70,81)(H,71,84)(H,77,78)(H,87,88)(H4,59,60,61)/t28-,29+,34-,36-,37-,38-,39-,40-,41-,45-,46-/m0/s1

InChIKey

MGPOPUCGGYKRPB-POSOLVMASA-N

Compound name

(3S)-4-[[2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 169449957