H-leu-glu-arg-phe-ala-val-asn-pro-gly-leu-leu-glu-thr-ser-glu-oh

Structural Information

Molecular Formula

C₇₄H₁₁₉N₁₉O₂₅

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C74H119N19O25/c1-35(2)28-42(75)61(105)83-44(20-23-55(98)99)63(107)84-43(18-14-26-79-74(77)78)62(106)88-49(31-41-16-12-11-13-17-41)65(109)81-39(9)60(104)91-58(38(7)8)70(114)89-50(32-53(76)96)72(116)93-27-15-19-52(93)69(113)80-33-54(97)82-47(29-36(3)4)66(110)87-48(30-37(5)6)67(111)85-45(21-24-56(100)101)64(108)92-59(40(10)95)71(115)90-51(34-94)68(112)86-46(73(117)118)22-25-57(102)103/h11-13,16-17,35-40,42-52,58-59,94-95H,14-15,18-34,75H2,1-10H3,(H2,76,96)(H,80,113)(H,81,109)(H,82,97)(H,83,105)(H,84,107)(H,85,111)(H,86,112)(H,87,110)(H,88,106)(H,89,114)(H,90,115)(H,91,104)(H,92,108)(H,98,99)(H,100,101)(H,102,103)(H,117,118)(H4,77,78,79)/t39-,40+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-/m0/s1

InChIKey

XPOCSYILKHIGGC-AQJSXYFJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid

Related CIDs

• CID 25078077