Ac-asp-glu-dif-ile-cha-abu(me)-ala-ser-his-leu-nh2

Structural Information

Molecular Formula

C₆₄H₉₃N₁₃O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C64H93N13O16/c1-9-36(5)53(75-63(92)54(52(40-22-16-12-17-23-40)41-24-18-13-19-25-41)76-57(86)43(26-27-50(80)81)70-59(88)46(31-51(82)83)69-38(7)79)62(91)73-47(29-39-20-14-11-15-21-39)64(93)77(8)49(10-2)61(90)68-37(6)56(85)74-48(33-78)60(89)72-45(30-42-32-66-34-67-42)58(87)71-44(55(65)84)28-35(3)4/h12-13,16-19,22-25,32,34-37,39,43-49,52-54,78H,9-11,14-15,20-21,26-31,33H2,1-8H3,(H2,65,84)(H,66,67)(H,68,90)(H,69,79)(H,70,88)(H,71,87)(H,72,89)(H,73,91)(H,74,85)(H,75,92)(H,76,86)(H,80,81)(H,82,83)/t36-,37-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1

InChIKey

DSMVHCXXCMGDIP-OVRYZWOQSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-methylamino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 5482371