Nh2-leu-pro-leu-pro-ala-pro-ser-phe-his-arg-thr-thr-cooh

Structural Information

Molecular Formula

C₆₂H₉₇N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C62H97N17O16/c1-32(2)25-39(63)59(92)78-23-13-20-47(78)55(88)73-43(26-33(3)4)60(93)79-24-14-18-45(79)54(87)69-34(5)58(91)77-22-12-19-46(77)56(89)74-44(30-80)53(86)71-41(27-37-15-9-8-10-16-37)51(84)72-42(28-38-29-66-31-68-38)52(85)70-40(17-11-21-67-62(64)65)50(83)75-48(35(6)81)57(90)76-49(36(7)82)61(94)95/h8-10,15-16,29,31-36,39-49,80-82H,11-14,17-28,30,63H2,1-7H3,(H,66,68)(H,69,87)(H,70,85)(H,71,86)(H,72,84)(H,73,88)(H,74,89)(H,75,83)(H,76,90)(H,94,95)(H4,64,65,67)/t34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

InChIKey

WGFLWXZXORRTBR-CHVWERHUSA-N

Compound name

(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 5273899