D-lys-gly-d-ser-d-leu-d-val-d-ile-d-arg-gly-d-val-d-ile-d-val-d-val-d-cys-l-lys

Structural Information

Molecular Formula

C₆₆H₁₂₃N₁₉O₁₆S

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CCCCN)N

InChI

InChI=1S/C66H123N19O16S/c1-15-38(13)52(84-62(97)50(36(9)10)81-56(91)43(28-33(3)4)78-57(92)44(31-86)75-46(87)29-73-54(89)40(69)22-17-19-25-67)63(98)76-41(24-21-27-72-66(70)71)55(90)74-30-47(88)80-48(34(5)6)60(95)85-53(39(14)16-2)64(99)83-51(37(11)12)61(96)82-49(35(7)8)59(94)79-45(32-102)58(93)77-42(65(100)101)23-18-20-26-68/h33-45,48-53,86,102H,15-32,67-69H2,1-14H3,(H,73,89)(H,74,90)(H,75,87)(H,76,98)(H,77,93)(H,78,92)(H,79,94)(H,80,88)(H,81,91)(H,82,96)(H,83,99)(H,84,97)(H,85,95)(H,100,101)(H4,70,71,72)/t38-,39-,40-,41+,42+,43-,44-,45+,48-,49-,50-,51-,52-,53-/m1/s1

InChIKey

VOLDICALPOCCPU-HLAWWYEHSA-N

Compound name

(2S)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid

Related CIDs

• CID 492242