Ac-ala-thr-leu-asn-phe-pro-ile-ser-pro-ile-glu-nh2

Structural Information

Molecular Formula

C₅₈H₉₁N₁₃O₁₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)C([C@@H](C)O)NC(=O)[C@H](C)NC(=O)C

InChI

InChI=1S/C58H91N13O17/c1-10-30(5)45(54(84)62-36(48(60)78)21-22-44(76)77)67-53(83)42-20-16-24-71(42)58(88)40(28-72)66-55(85)46(31(6)11-2)68-52(82)41-19-15-23-70(41)57(87)39(26-35-17-13-12-14-18-35)65-51(81)38(27-43(59)75)63-50(80)37(25-29(3)4)64-56(86)47(33(8)73)69-49(79)32(7)61-34(9)74/h12-14,17-18,29-33,36-42,45-47,72-73H,10-11,15-16,19-28H2,1-9H3,(H2,59,75)(H2,60,78)(H,61,74)(H,62,84)(H,63,80)(H,64,86)(H,65,81)(H,66,85)(H,67,83)(H,68,82)(H,69,79)(H,76,77)/t30-,31-,32-,33+,36-,37-,38-,39-,40-,41-,42-,45?,46-,47?/m0/s1

InChIKey

VIVYKPCMRAVLND-UYDNEXTQSA-N

Compound name

(4S)-4-[[(3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 473345